ursodiol
Also known as UDCA, ACG240, (3alpha,5beta,7beta)-3,7-dihydroxycholan-24-oic acid, Urso, (4R)-4-[(1S,2S,5R,7S,9S,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0?,?.0??,??]heptadecan-14-yl]pentanoic acid, (3a,5b,7b)-3,7-dihydroxycholan-24-oic acid, (3a,5b,7b)-3,7-dihydroxy-cholan-24-oic acid, (3α,5β,7β)-3,7-dihydroxycholan-24-oic acid
chemical compound
Chemical data
- Formula
- C24H40O4
- Molecular weight
- 392.6 g/mol
- IUPAC name
- (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
- SMILES
- C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
- InChIKey
- RUDATBOHQWOJDD-UZVSRGJWSA-N
- XLogP
- 4.9
- Polar surface area
- 77.8 Ų
- H-bond donors
- 3
- H-bond acceptors
- 4
- Formal charge
- 0
via PubChem