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
HIT218698818
sdf文件结构编辑类似物检索
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
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