Glycocholic acid
2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
| Molecular Formula | C26H43NO6 |
|---|---|
| Molecular Weight | 465.6 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 127.0 A2 |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.30905 |
| Heavy Atoms | 33 |
| Complexity | 759.0 |
Chemical Identifiers
| CAS Number | 475-31-0 |
|---|---|
| SMILES | CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C |
| InChIKey | RFDAIACWWDREDC-FRVQLJSFSA-N |
📖 Product Overview
Glycocholic acid (CAS: 475-31-0) is a chemical compound with molecular formula C26H43NO6 and molecular weight 465.6 g/mol. Its IUPAC systematic name is 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid.
RFDAIACWWDREDC-FRVQLJSFSA-N.
SMILES: CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.
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