beta-D-Glucopyranosiduronic acid, (9beta,10alpha,20S)-3-oxopregna-4,6-dien-20-yl
TL;DR: beta-D-Glucopyranosiduronic acid, (9beta,10alpha,20S)-3-oxopregna-4,6-dien-20-yl (CAS 85126-19-8) is a chemical compound with molecular formula C27H38O8 and molecular weight 490.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6R)-6-[(1S)-1-[(9S,10R,13S,17R)-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: 3-Oxopregna-4,6-dien-20-yl hexopyranosiduronic acid, beta-D-Glucopyranosiduronic acid, (9beta,10alpha,20S)-3-oxopregna-4,6-dien-20-yl, (8xi,14xi,20S)-3-Oxo-17alpha-pregna-4,6-dien-20-yl beta-D-glucopyranosiduronic acid, (2S,3S,4S,5R,6R)-6-[(1S)-1-[(9S,10R,13S,17R)-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
| Molecular Formula | C27H38O8 |
|---|---|
| Molecular Weight | 490.26 g/mol |
| LogP | 2.2078 |
| Topological Polar Surface Area | 133.52 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 490.25668 |
| Heavy Atoms | 35 |
| Complexity | 943.46576 |
Chemical Identifiers
| CAS Number | 85126-19-8 |
|---|---|
| SMILES | C[C@@H]([C@@H]1CCC2[C@@]1(CC[C@H]3C2C=CC4=CC(=O)CC[C@]34C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O |
Product Overview
beta-D-Glucopyranosiduronic acid, (9beta,10alpha,20S)-3-oxopregna-4,6-dien-20-yl (CAS 85126-19-8), with molecular formula C27H38O8 and molecular weight 490.26 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[(1S)-1-[(9S,10R,13S,17R)-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of beta-D-Glucopyranosiduronic acid, (9beta,10alpha,20S)-3-oxopregna-4,6-dien-20-yl
Property Insights of beta-D-Glucopyranosiduronic acid, (9beta,10alpha,20S)-3-oxopregna-4,6-dien-20-yl
The XLogP value of 2.2078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-D-Glucopyranosiduronic acid, (9beta,10alpha,20S)-3-oxopregna-4,6-dien-20-yl. The TPSA of 133.52 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-D-Glucopyranosiduronic acid, (9beta,10alpha,20S)-3-oxopregna-4,6-dien-20-yl. Following Lipinski's Rule of Five, beta-D-Glucopyranosiduronic acid, (9beta,10alpha,20S)-3-oxopregna-4,6-dien-20-yl has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of beta-D-Glucopyranosiduronic acid, (9beta,10alpha,20S)-3-oxopregna-4,6-dien-20-yl?
The CAS number of beta-D-Glucopyranosiduronic acid, (9beta,10alpha,20S)-3-oxopregna-4,6-dien-20-yl is 85126-19-8.
What is the molecular formula of beta-D-Glucopyranosiduronic acid, (9beta,10alpha,20S)-3-oxopregna-4,6-dien-20-yl?
The molecular formula of beta-D-Glucopyranosiduronic acid, (9beta,10alpha,20S)-3-oxopregna-4,6-dien-20-yl is C27H38O8.
What is the molecular weight of beta-D-Glucopyranosiduronic acid, (9beta,10alpha,20S)-3-oxopregna-4,6-dien-20-yl?
The molecular weight of beta-D-Glucopyranosiduronic acid, (9beta,10alpha,20S)-3-oxopregna-4,6-dien-20-yl is 490.26 g/mol.
Where can I buy beta-D-Glucopyranosiduronic acid, (9beta,10alpha,20S)-3-oxopregna-4,6-dien-20-yl?
You can request a quote for beta-D-Glucopyranosiduronic acid, (9beta,10alpha,20S)-3-oxopregna-4,6-dien-20-yl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-D-Glucopyranosiduronic acid, (9beta,10alpha,20S)-3-oxopregna-4,6-dien-20-yl?
Yes, KEHONG BIO provides custom synthesis services for beta-D-Glucopyranosiduronic acid, (9beta,10alpha,20S)-3-oxopregna-4,6-dien-20-yl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.