7,12,25-Trihydroxycholestan-3-yl hexopyranosiduronic acid
TL;DR: 7,12,25-Trihydroxycholestan-3-yl hexopyranosiduronic acid (CAS 77172-80-6) is a chemical compound with molecular formula C33H56O10 and molecular weight 612.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4R,5R,6R)-6-[[(7S,10S,12R,13R,17R)-7,12-dihydroxy-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: 5-CTGU, Cholestane-3,7,12,25-tetrol-3-glucuronide, 7,12,25-Trihydroxycholestan-3-yl hexopyranosiduronic acid, 5beta-Cholestane 3alpha,7alpha,12alpha,25-tetrol-3alpha-glucuronide, (8xi,9xi,14xi)-7beta,12beta,25-Trihydroxycholestan-3-yl beta-D-allopyranosiduronic acid
| Molecular Formula | C33H56O10 |
|---|---|
| Molecular Weight | 612.39 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 612.3873 |
| Heavy Atoms | 43 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 77172-80-6 |
|---|---|
| SMILES | C[C@H](CCCC(C)(C)O)[C@H]1CCC2[C@@]1([C@@H](CC3C2[C@H](CC4[C@@]3(CCC(C4)O[C@H]5[C@@H]([C@@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)O)O)C |
| InChIKey | FHOADKVSESICIH-PTKXJPCFSA-N |
Product Overview
7,12,25-Trihydroxycholestan-3-yl hexopyranosiduronic acid (CAS 77172-80-6), with molecular formula C33H56O10 and molecular weight 612.39 g/mol. IUPAC: (2S,3S,4R,5R,6R)-6-[[(7S,10S,12R,13R,17R)-7,12-dihydroxy-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of 7,12,25-Trihydroxycholestan-3-yl hexopyranosiduronic acid
Property Insights of 7,12,25-Trihydroxycholestan-3-yl hexopyranosiduronic acid
The XLogP value of 3.6 indicates that 7,12,25-Trihydroxycholestan-3-yl hexopyranosiduronic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 177.0 Ų indicates high polarity, suggesting 7,12,25-Trihydroxycholestan-3-yl hexopyranosiduronic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7,12,25-Trihydroxycholestan-3-yl hexopyranosiduronic acid has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7,12,25-Trihydroxycholestan-3-yl hexopyranosiduronic acid?
The CAS number of 7,12,25-Trihydroxycholestan-3-yl hexopyranosiduronic acid is 77172-80-6.
What is the molecular formula of 7,12,25-Trihydroxycholestan-3-yl hexopyranosiduronic acid?
The molecular formula of 7,12,25-Trihydroxycholestan-3-yl hexopyranosiduronic acid is C33H56O10.
What is the molecular weight of 7,12,25-Trihydroxycholestan-3-yl hexopyranosiduronic acid?
The molecular weight of 7,12,25-Trihydroxycholestan-3-yl hexopyranosiduronic acid is 612.39 g/mol.
Where can I buy 7,12,25-Trihydroxycholestan-3-yl hexopyranosiduronic acid?
You can request a quote for 7,12,25-Trihydroxycholestan-3-yl hexopyranosiduronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,12,25-Trihydroxycholestan-3-yl hexopyranosiduronic acid?
Yes, KEHONG BIO provides custom synthesis services for 7,12,25-Trihydroxycholestan-3-yl hexopyranosiduronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.