2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 11-((2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl)oxy)-5-((O-2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl-(1-4)-O-2,3,6-trideoxy-3-C-methyl-3-nitro-beta-L-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,8,10,13-tetrahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, (2R-(2-alpha,3-beta,4-alpha,5-alpha,6-alpha,11-beta,13-alpha,14-alpha))-
TL;DR: 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 11-((2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl)oxy)-5-((O-2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl-(1-4)-O-2,3,6-trideoxy-3-C-methyl-3-nitro-beta-L-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,8,10,13-tetrahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, (2R-(2-alpha,3-beta,4-alpha,5-alpha,6-alpha,11-beta,13-alpha,14-alpha))- (CAS 98805-73-3) is a chemical compound with molecular formula C56H76N2O25 and molecular weight 1176.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 23-(dimethylamino)-4,8,12,22-tetrahydroxy-24-[4-hydroxy-5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4,6-dimethyl-4-nitrooxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-1,12-dimethyl-6,17-dioxo-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaene-13-carboxylate
Also Known As: 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 11-((2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl)oxy)-5-((O-2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl-(1-4)-O-2,3,6-trideoxy-3-C-methyl-3-nitro-beta-L-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,8,10,13-tetrahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, (2R-(2-alpha,3-beta,4-alpha,5-alpha,6-alpha,11-beta,13-alpha,14-alpha))-, 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 11-((2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl)oxy)-5-((O-2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl-(1-4)-O-2,3,6-trideoxy-3-C-methyl-3-nitro-beta-L-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,8,10,13-tetrahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, (2R-(2-alpha,3-beta,4-alpha,5-alpha,6-alp, Methyl 23-(dimethylamino)-4,8,12,22-tetrahydroxy-24-[4-hydroxy-5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4,6-dimethyl-4-nitrooxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-1,12-dimethyl-6,17-dioxo-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaene-13-carboxylate
| Molecular Formula | C56H76N2O25 |
|---|---|
| Molecular Weight | 1176.47 g/mol |
| LogP | 1.4405 |
| Topological Polar Surface Area | 359.19 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 13 |
| Exact Mass | 1176.4738 |
| Heavy Atoms | 83 |
| Complexity | 2840.5808 |
Chemical Identifiers
| CAS Number | 98805-73-3 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(C(C3=CC4=C(C(=C23)O)C(=O)C5=C(C=C6C(=C5C4=O)OC7C(C(C(C6(O7)C)OC8CC(C(C(O8)C)OC9CC(C(C(O9)C)OC1CC(C(C(O1)C)O)OC)(C)[N+](=O)[O-])O)N(C)C)O)O)C(=O)OC)(C)O)OC)O |
Product Overview
2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 11-((2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl)oxy)-5-((O-2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl-(1-4)-O-2,3,6-trideoxy-3-C-methyl-3-nitro-beta-L-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,8,10,13-tetrahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, (2R-(2-alpha,3-beta,4-alpha,5-alpha,6-alpha,11-beta,13-alpha,14-alpha))- (CAS 98805-73-3), with molecular formula C56H76N2O25 and molecular weight 1176.47 g/mol. IUPAC: methyl 23-(dimethylamino)-4,8,12,22-tetrahydroxy-24-[4-hydroxy-5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4,6-dimethyl-4-nitrooxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-1,12-dimethyl-6,17-dioxo-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaene-13-carboxylate.
Chemical Property Profile of 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 11-((2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl)oxy)-5-((O-2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl-(1-4)-O-2,3,6-trideoxy-3-C-methyl-3-nitro-beta-L-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,8,10,13-tetrahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, (2R-(2-alpha,3-beta,4-alpha,5-alpha,6-alpha,11-beta,13-alpha,14-alpha))-
Property Insights of 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 11-((2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl)oxy)-5-((O-2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl-(1-4)-O-2,3,6-trideoxy-3-C-methyl-3-nitro-beta-L-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,8,10,13-tetrahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, (2R-(2-alpha,3-beta,4-alpha,5-alpha,6-alpha,11-beta,13-alpha,14-alpha))-
The XLogP value of 1.4405 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 11-((2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl)oxy)-5-((O-2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl-(1-4)-O-2,3,6-trideoxy-3-C-methyl-3-nitro-beta-L-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,8,10,13-tetrahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, (2R-(2-alpha,3-beta,4-alpha,5-alpha,6-alpha,11-beta,13-alpha,14-alpha))-. The TPSA of 359.19 Ų indicates high polarity, suggesting 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 11-((2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl)oxy)-5-((O-2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl-(1-4)-O-2,3,6-trideoxy-3-C-methyl-3-nitro-beta-L-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,8,10,13-tetrahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, (2R-(2-alpha,3-beta,4-alpha,5-alpha,6-alpha,11-beta,13-alpha,14-alpha))- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 11-((2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl)oxy)-5-((O-2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl-(1-4)-O-2,3,6-trideoxy-3-C-methyl-3-nitro-beta-L-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,8,10,13-tetrahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, (2R-(2-alpha,3-beta,4-alpha,5-alpha,6-alpha,11-beta,13-alpha,14-alpha))- has 7 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 11-((2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl)oxy)-5-((O-2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl-(1-4)-O-2,3,6-trideoxy-3-C-methyl-3-nitro-beta-L-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,8,10,13-tetrahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, (2R-(2-alpha,3-beta,4-alpha,5-alpha,6-alpha,11-beta,13-alpha,14-alpha))-?
The CAS number of 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 11-((2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl)oxy)-5-((O-2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl-(1-4)-O-2,3,6-trideoxy-3-C-methyl-3-nitro-beta-L-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,8,10,13-tetrahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, (2R-(2-alpha,3-beta,4-alpha,5-alpha,6-alpha,11-beta,13-alpha,14-alpha))- is 98805-73-3.
What is the molecular formula of 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 11-((2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl)oxy)-5-((O-2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl-(1-4)-O-2,3,6-trideoxy-3-C-methyl-3-nitro-beta-L-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,8,10,13-tetrahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, (2R-(2-alpha,3-beta,4-alpha,5-alpha,6-alpha,11-beta,13-alpha,14-alpha))-?
The molecular formula of 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 11-((2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl)oxy)-5-((O-2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl-(1-4)-O-2,3,6-trideoxy-3-C-methyl-3-nitro-beta-L-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,8,10,13-tetrahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, (2R-(2-alpha,3-beta,4-alpha,5-alpha,6-alpha,11-beta,13-alpha,14-alpha))- is C56H76N2O25.
What is the molecular weight of 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 11-((2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl)oxy)-5-((O-2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl-(1-4)-O-2,3,6-trideoxy-3-C-methyl-3-nitro-beta-L-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,8,10,13-tetrahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, (2R-(2-alpha,3-beta,4-alpha,5-alpha,6-alpha,11-beta,13-alpha,14-alpha))-?
The molecular weight of 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 11-((2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl)oxy)-5-((O-2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl-(1-4)-O-2,3,6-trideoxy-3-C-methyl-3-nitro-beta-L-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,8,10,13-tetrahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, (2R-(2-alpha,3-beta,4-alpha,5-alpha,6-alpha,11-beta,13-alpha,14-alpha))- is 1176.47 g/mol.
Where can I buy 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 11-((2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl)oxy)-5-((O-2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl-(1-4)-O-2,3,6-trideoxy-3-C-methyl-3-nitro-beta-L-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,8,10,13-tetrahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, (2R-(2-alpha,3-beta,4-alpha,5-alpha,6-alpha,11-beta,13-alpha,14-alpha))-?
You can request a quote for 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 11-((2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl)oxy)-5-((O-2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl-(1-4)-O-2,3,6-trideoxy-3-C-methyl-3-nitro-beta-L-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,8,10,13-tetrahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, (2R-(2-alpha,3-beta,4-alpha,5-alpha,6-alpha,11-beta,13-alpha,14-alpha))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 11-((2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl)oxy)-5-((O-2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl-(1-4)-O-2,3,6-trideoxy-3-C-methyl-3-nitro-beta-L-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,8,10,13-tetrahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, (2R-(2-alpha,3-beta,4-alpha,5-alpha,6-alpha,11-beta,13-alpha,14-alpha))-?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 11-((2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl)oxy)-5-((O-2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl-(1-4)-O-2,3,6-trideoxy-3-C-methyl-3-nitro-beta-L-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,8,10,13-tetrahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, (2R-(2-alpha,3-beta,4-alpha,5-alpha,6-alpha,11-beta,13-alpha,14-alpha))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.