HIT ID: HIT218698818

Cas No: 95648-77-4

分子式: C10H12N4Na3O13P3

分子量: 558.112

常用名: trisodium [hydroxy([(2R,3S,5R)-3-hydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxy)phosphoryl phosphonato]oxyphosphonate, dITP trisodium salt, dITP 钠盐

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: trisodium {[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy})phosphoryl phosphonato]oxy}phosphonate

SMILES: [Na+].[Na+].[Na+].O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP([O-])(=O)OP([O-])([O-])=O)n1cnc2c1[nH]cnc2=O

InChI key: FHYSVBOUQFJKCI-PWDLANNDSA-K