HIT ID: HIT100011394
Cas No: 16564-43-5
分子式: C26H42NNaO5
分子量: 471.614
常用名: Glycochenodeoxycholic acid sodium salt
常用名: Glycochenodeoxycholic acid sodium salt
氢键受体数 (HBA): 6
氢键供体数 (HBD): 4
LogP: 2.66
IUPAC: sodium 2-(4-{4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanamido)acetate
IUPAC: sodium 2-(4-{4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanamido)acetate
SMILES: [Na+].CC(CCC(=O)NCC([O-])=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
SMILES: [Na+].CC(CCC(=O)NCC([O-])=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
InChI key: AAYACJGHNRIFCT-UHFFFAOYSA-M
