rel-(8xi,10xi,13xi,14xi)-3,7,12-trihydroxycholan-24-oic acid
Chemical Structure Depiction of
rel-(8xi,10xi,13xi,14xi)-3,7,12-trihydroxycholan-24-oic acid
rel-(8xi,10xi,13xi,14xi)-3,7,12-trihydroxycholan-24-oic acid
Compound characteristics
| Compound ID: | N084-1019 |
| Compound Name: | rel-(8xi,10xi,13xi,14xi)-3,7,12-trihydroxycholan-24-oic acid |
| Molecular Weight: | 408.58 |
| Molecular Formula: | C24 H40 O5 |
| Smiles: | [H]C12C[C@@H](CCC2(C)[C@@]2([H])C[C@@H](C3(C)C(CC[C@]3([H])[C@]([H])(C)CCC(O)=O)C2([H])[C@@H](C1)O)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.864 |
| logD: | -0.9642 |
| logSw: | -3.5089 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 75.896 |
| InChI Key: | BHQCQFFYRZLCQQ-ACRFUZKMSA-N |