Sulfurmycin A
TL;DR: Sulfurmycin A (CAS 78173-90-7) is a chemical compound with molecular formula C43H53NO16 and molecular weight 839.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,2S,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1H-tetracene-1-carboxylate
Also Known As: Sulfurmycin A, 3-trimethylsilyloxypropyl iodide, methyl (1R,2S,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-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-trihydroxy-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-(1-alpha,2-beta,4-beta))-, 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-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))-
| Molecular Formula | C43H53NO16 |
|---|---|
| Molecular Weight | 839.34 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 234.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 11 |
| Exact Mass | 839.3364 |
| Heavy Atoms | 60 |
| Complexity | 1630.0 |
Chemical Identifiers
| CAS Number | 78173-90-7 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@]([C@@H](C3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5O)C(=O)OC)(CC(=O)C)O)N(C)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7CCC(=O)[C@@H](O7)C)O |
| InChIKey | BJOHUNBAORBLAE-KAIPXQOPSA-N |
Product Overview
Sulfurmycin A (CAS 78173-90-7), with molecular formula C43H53NO16 and molecular weight 839.34 g/mol. IUPAC: methyl (1R,2S,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1H-tetracene-1-carboxylate.
Chemical Property Profile of Sulfurmycin A
Property Insights of Sulfurmycin A
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulfurmycin A. The TPSA of 234.0 Ų indicates high polarity, suggesting Sulfurmycin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sulfurmycin A 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 Sulfurmycin A?
The CAS number of Sulfurmycin A is 78173-90-7.
What is the molecular formula of Sulfurmycin A?
The molecular formula of Sulfurmycin A is C43H53NO16.
What is the molecular weight of Sulfurmycin A?
The molecular weight of Sulfurmycin A is 839.34 g/mol.
Where can I buy Sulfurmycin A?
You can request a quote for Sulfurmycin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfurmycin A?
Yes, KEHONG BIO provides custom synthesis services for Sulfurmycin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.