Hydroxydocosanoic acid sophoroside
TL;DR: Hydroxydocosanoic acid sophoroside (CAS 20246-59-7) is a chemical compound with molecular formula C38H68O15 and molecular weight 764.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-[(2R,3R,4S,5S,6R)-6-(acetyloxymethyl)-3-[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxydocosanoic acid
Also Known As: Hydroxydocosanoic acid sophoroside, sophorosyloxydocosanoate, 13-sophorosyloxydocosanoate 6',6''-diacetate, 13-((2'-O beta-D-Glucopyranosyl beta-D-glucopyranosyl)oxy)docosanoic acid 6',6''-diacetate, J2.073.088I
| Molecular Formula | C38H68O15 |
|---|---|
| Molecular Weight | 764.46 g/mol |
| LogP | 3.6537 |
| Topological Polar Surface Area | 227.97 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 28 |
| Exact Mass | 764.4558 |
| Heavy Atoms | 53 |
| Complexity | 1014.07794 |
Chemical Identifiers
| CAS Number | 20246-59-7 |
|---|---|
| SMILES | CCCCCCCCCC(CCCCCCCCCCCC(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)O)O)O |
Product Overview
Hydroxydocosanoic acid sophoroside (CAS 20246-59-7), with molecular formula C38H68O15 and molecular weight 764.46 g/mol. IUPAC: 13-[(2R,3R,4S,5S,6R)-6-(acetyloxymethyl)-3-[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxydocosanoic acid.
Chemical Property Profile of Hydroxydocosanoic acid sophoroside
Property Insights of Hydroxydocosanoic acid sophoroside
The XLogP value of 3.6537 indicates that Hydroxydocosanoic acid sophoroside is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 227.97 Ų indicates high polarity, suggesting Hydroxydocosanoic acid sophoroside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hydroxydocosanoic acid sophoroside has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hydroxydocosanoic acid sophoroside?
The CAS number of Hydroxydocosanoic acid sophoroside is 20246-59-7.
What is the molecular formula of Hydroxydocosanoic acid sophoroside?
The molecular formula of Hydroxydocosanoic acid sophoroside is C38H68O15.
What is the molecular weight of Hydroxydocosanoic acid sophoroside?
The molecular weight of Hydroxydocosanoic acid sophoroside is 764.46 g/mol.
Where can I buy Hydroxydocosanoic acid sophoroside?
You can request a quote for Hydroxydocosanoic acid sophoroside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroxydocosanoic acid sophoroside?
Yes, KEHONG BIO provides custom synthesis services for Hydroxydocosanoic acid sophoroside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.