7,12-Dihydroxy-3-(2-(glucopyranosyl)acetyl)cholan-24-oic acid
TL;DR: 7,12-Dihydroxy-3-(2-(glucopyranosyl)acetyl)cholan-24-oic acid (CAS 131528-79-5) is a chemical compound with molecular formula C32H52O10 and molecular weight 596.356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4R)-4-[(8R,9S,10S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-[2-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Also Known As: DGACA, 7,12-dihydroxy-3-(2- cholan-24-oicacid, 7,12-Dihydroxy-3-(2-(glucopyranosyl)acetyl)cholan-24-oic acid, (4R)-4-[(8R,9S,10S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-[2-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid, 7alpha,12alpha-Dihydroxy-3alpha-(2-(beta-D-glucopyranosyl)acetyl)-5beta-cholan-24-oic acid
Technical Specifications
| Molecular Formula | C32H52O10 |
| Molecular Weight | 596.356 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 185.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 596.356 Da |
| Heavy Atoms | 42 |
| Complexity | 1010.0 |
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(C[C@H]3[C@H]2C(CC4[C@@]3(CCC(C4)C(=O)CC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)O)C |
| InChIKey | JCXBHQBUBMRSAZ-VKIZJLMMSA-N |
Chemical Property Profile of 7,12-Dihydroxy-3-(2-(glucopyranosyl)acetyl)cholan-24-oic acid
Property Insights of 7,12-Dihydroxy-3-(2-(glucopyranosyl)acetyl)cholan-24-oic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,12-Dihydroxy-3-(2-(glucopyranosyl)acetyl)cholan-24-oic acid. The TPSA of 185.0 Ų indicates high polarity, suggesting 7,12-Dihydroxy-3-(2-(glucopyranosyl)acetyl)cholan-24-oic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7,12-Dihydroxy-3-(2-(glucopyranosyl)acetyl)cholan-24-oic acid has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 7,12-Dihydroxy-3-(2-(glucopyranosyl)acetyl)cholan-24-oic acid?
The CAS number of 7,12-Dihydroxy-3-(2-(glucopyranosyl)acetyl)cholan-24-oic acid is 131528-79-5.
What is the molecular formula of 7,12-Dihydroxy-3-(2-(glucopyranosyl)acetyl)cholan-24-oic acid?
The molecular formula of 7,12-Dihydroxy-3-(2-(glucopyranosyl)acetyl)cholan-24-oic acid is C32H52O10.
What is the molecular weight of 7,12-Dihydroxy-3-(2-(glucopyranosyl)acetyl)cholan-24-oic acid?
The molecular weight of 7,12-Dihydroxy-3-(2-(glucopyranosyl)acetyl)cholan-24-oic acid is 596.356 g/mol.
Where can I buy 7,12-Dihydroxy-3-(2-(glucopyranosyl)acetyl)cholan-24-oic acid?
You can request a quote for 7,12-Dihydroxy-3-(2-(glucopyranosyl)acetyl)cholan-24-oic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7,12-Dihydroxy-3-(2-(glucopyranosyl)acetyl)cholan-24-oic acid?
Yes, CoreyChem provides custom synthesis services for 7,12-Dihydroxy-3-(2-(glucopyranosyl)acetyl)cholan-24-oic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.