HIT ID: HIT212069319
Cas No: 121268-17-5
分子式: C4H18NNaO10P2
分子量: 325.122
常用名: Alendronate sodium trihydrate
氢键受体数 (HBA): 8
氢键供体数 (HBD): 5
LogP: -4.190998
IUPAC: sodium trihydrate hydrogen (4-amino-1-hydroxy-1-phosphonobutyl)phosphonate
IUPAC: sodium trihydrate hydrogen (4-amino-1-hydroxy-1-phosphonobutyl)phosphonate
SMILES: O.O.O.[Na+].NCCCC(O)(P(O)(O)=O)P(O)([O-])=O
SMILES: O.O.O.[Na+].NCCCC(O)(P(O)(O)=O)P(O)([O-])=O
InChI key: DCSBSVSZJRSITC-UHFFFAOYSA-M