HIT ID: HIT212657810
Cas No: 137-08-6
分子式: C18H32CaN2O10
分子量: 476.536
常用名: D-Pantothenic acid hemicalcium salt
常用名: D-Pantothenic acid hemicalcium salt
氢键受体数 (HBA): 5
氢键供体数 (HBD): 3
LogP: -1.355375
IUPAC: calcium bis(3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate)
IUPAC: calcium bis(3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate)
SMILES: [Ca++].CC(C)(CO)C(O)C(=O)NCCC([O-])=O.CC(C)(CO)C(O)C(=O)NCCC([O-])=O
SMILES: [Ca++].CC(C)(CO)C(O)C(=O)NCCC([O-])=O.CC(C)(CO)C(O)C(=O)NCCC([O-])=O
InChI key: FAPWYRCQGJNNSJ-UHFFFAOYSA-L
