1-Hydroxyauramycin B
TL;DR: 1-Hydroxyauramycin B (CAS 79206-72-7) is a chemical compound with molecular formula C41H49NO16 and molecular weight 811.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-(dimethylamino)-5-[(5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)oxy]-6-methyloxan-2-yl]oxy-2,5,7,10-tetrahydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Also Known As: 1-Hydroxyauramycin B, 1-Naphthacenecarboxylic acid, 4-((O-2''',3''-anhydro-3,6-dideoxy-alpha-L-erythro-hexopyranos-4-ulosyl-(1->4)-O-2,6-dideoxy-alpha-D-lyxo-hexopyranosyl-(1->4)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-2-methyl-6,1 1-dioxo-, methyl ester, (1R-(1alpha,2beta,4beta))-, methyl 4-[4-(dimethylamino)-5-[(5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)oxy]-6-methyloxan-2-yl]oxy-2,5,7,10-tetrahydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
| Molecular Formula | C41H49NO16 |
|---|---|
| Molecular Weight | 811.31 g/mol |
| LogP | 2.4896 |
| Topological Polar Surface Area | 226.28 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 6 |
| Exact Mass | 811.3051 |
| Heavy Atoms | 58 |
| Complexity | 2032.2122 |
Chemical Identifiers
| CAS Number | 79206-72-7 |
|---|---|
| SMILES | CC1C2C(CC(O1)OC3C(OC(CC3N(C)C)OC4CC(C(C5=CC6=C(C(=C45)O)C(=O)C7=C(C=CC(=C7C6=O)O)O)C(=O)OC)(C)O)C)OC8CC(=O)C(OC8O2)C |
Product Overview
1-Hydroxyauramycin B (CAS 79206-72-7), with molecular formula C41H49NO16 and molecular weight 811.31 g/mol. IUPAC: methyl 4-[4-(dimethylamino)-5-[(5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)oxy]-6-methyloxan-2-yl]oxy-2,5,7,10-tetrahydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate.
Chemical Property Profile of 1-Hydroxyauramycin B
Property Insights of 1-Hydroxyauramycin B
The XLogP value of 2.4896 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hydroxyauramycin B. The TPSA of 226.28 Ų indicates high polarity, suggesting 1-Hydroxyauramycin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Hydroxyauramycin B has 4 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Hydroxyauramycin B?
The CAS number of 1-Hydroxyauramycin B is 79206-72-7.
What is the molecular formula of 1-Hydroxyauramycin B?
The molecular formula of 1-Hydroxyauramycin B is C41H49NO16.
What is the molecular weight of 1-Hydroxyauramycin B?
The molecular weight of 1-Hydroxyauramycin B is 811.31 g/mol.
Where can I buy 1-Hydroxyauramycin B?
You can request a quote for 1-Hydroxyauramycin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hydroxyauramycin B?
Yes, KEHONG BIO provides custom synthesis services for 1-Hydroxyauramycin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.