1-Hydroxysulfurmycin A
TL;DR: 1-Hydroxysulfurmycin A (CAS 79234-80-3) is a chemical compound with molecular formula C43H53NO17 and molecular weight 855.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-(dimethylamino)-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-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 A, methyl 4-[4-(dimethylamino)-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-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, 1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-2-(2-oxopropyl)-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, methyl ester, (1R-(1alpha,2beta,4beta))-, Methyl 2,5,7,10-tetrahydroxy-6,11-dioxo-2-(2-oxopropyl)-4-({2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-(6-methyl-5-oxooxan-2-yl)hexopyranosyl]-3-(dimethylamino)hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate, methyl 4-[4-dimethylamino-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-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 | C43H53NO17 |
|---|---|
| Molecular Weight | 855.33 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 254.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 11 |
| Exact Mass | 855.33136 |
| Heavy Atoms | 61 |
| Complexity | 1660.0 |
Chemical Identifiers
| CAS Number | 79234-80-3 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(C(C3=CC4=C(C(=C23)O)C(=O)C5=C(C=CC(=C5C4=O)O)O)C(=O)OC)(CC(=O)C)O)N(C)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O |
| InChIKey | JXYLBMAOWIXZSC-UHFFFAOYSA-N |
Product Overview
1-Hydroxysulfurmycin A (CAS 79234-80-3), with molecular formula C43H53NO17 and molecular weight 855.33 g/mol. IUPAC: methyl 4-[4-(dimethylamino)-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-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 A
Property Insights of 1-Hydroxysulfurmycin A
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hydroxysulfurmycin A. The TPSA of 254.0 Ų indicates high polarity, suggesting 1-Hydroxysulfurmycin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Hydroxysulfurmycin A has 5 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 A?
The CAS number of 1-Hydroxysulfurmycin A is 79234-80-3.
What is the molecular formula of 1-Hydroxysulfurmycin A?
The molecular formula of 1-Hydroxysulfurmycin A is C43H53NO17.
What is the molecular weight of 1-Hydroxysulfurmycin A?
The molecular weight of 1-Hydroxysulfurmycin A is 855.33 g/mol.
Where can I buy 1-Hydroxysulfurmycin A?
You can request a quote for 1-Hydroxysulfurmycin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hydroxysulfurmycin A?
Yes, KEHONG BIO provides custom synthesis services for 1-Hydroxysulfurmycin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.