1-Hydroxysulfurmycin B
TL;DR: 1-Hydroxysulfurmycin B (CAS 79217-18-8) is a chemical compound with molecular formula C43H51NO17 and molecular weight 853.32 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-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1H-tetracene-1-carboxylate
Also Known As: 1-Hydroxysulfurmycin B, 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-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1H-tetracene-1-carboxylate, 1-Naphthacenecarboxylic acid, 4-((O-2''',3''-anhydro-3,6-dideoxy-alpha-L-erythro-hexopyranos-4-ulosyl-(1->4)-O-2,6-dideoxy-alpha-L-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-6,11-dioxo-2-(2-oxopropyl)-, 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-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1H-tetracene-1-carboxylate
| Molecular Formula | C43H51NO17 |
|---|---|
| Molecular Weight | 853.32 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 243.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 9 |
| Exact Mass | 853.3157 |
| Heavy Atoms | 61 |
| Complexity | 1710.0 |
Chemical Identifiers
| CAS Number | 79217-18-8 |
|---|---|
| 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)(CC(=O)C)O)C)OC8CC(=O)C(OC8O2)C |
| InChIKey | NKBLQTJXEMEUHV-UHFFFAOYSA-N |
Product Overview
1-Hydroxysulfurmycin B (CAS 79217-18-8), with molecular formula C43H51NO17 and molecular weight 853.32 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-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1H-tetracene-1-carboxylate.
Chemical Property Profile of 1-Hydroxysulfurmycin B
Property Insights of 1-Hydroxysulfurmycin B
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hydroxysulfurmycin B. The TPSA of 243.0 Ų indicates high polarity, suggesting 1-Hydroxysulfurmycin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Hydroxysulfurmycin B has 4 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Hydroxysulfurmycin B?
The CAS number of 1-Hydroxysulfurmycin B is 79217-18-8.
What is the molecular formula of 1-Hydroxysulfurmycin B?
The molecular formula of 1-Hydroxysulfurmycin B is C43H51NO17.
What is the molecular weight of 1-Hydroxysulfurmycin B?
The molecular weight of 1-Hydroxysulfurmycin B is 853.32 g/mol.
Where can I buy 1-Hydroxysulfurmycin B?
You can request a quote for 1-Hydroxysulfurmycin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hydroxysulfurmycin B?
Yes, KEHONG BIO provides custom synthesis services for 1-Hydroxysulfurmycin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.