5β-cholestane-3α,7α,12α-triol

Ligand id: 2803

Name: 5β-cholestane-3α,7α,12α-triol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 60.69
Molecular weight 420.36
XLogP 7.61
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
Database Links
CAS Registry No. 547-96-6 (source: KEGG compound)
ChEBI CHEBI:16496
Human Metabolome Database HMDB01457
PubChem CID 160520
Search Google for chemical match using the InChIKey RIVQQZVHIVNQFH-XJZYBRFWSA-N
Search Google for chemicals with the same backbone RIVQQZVHIVNQFH