PSB 1114
HIT212688387
sdf文件结构编辑类似物检索
HIT ID: HIT212688387
Cas No:
分子式: C10H11F2N2Na4O13P3S
分子量: 622.14
常用名: PSB 1114
氢键受体数 (HBA): 12
氢键供体数 (HBD): 3
LogP: -1.2868803
IUPAC: tetrasodium {[({[3,4-dihydroxy-5-(2-oxo-4-sulfanyl-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methyl phosphonato}oxy)(oxido)phosphoryl]difluoromethyl}phosphonate
IUPAC: tetrasodium {[({[3,4-dihydroxy-5-(2-oxo-4-sulfanyl-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methyl phosphonato}oxy)(oxido)phosphoryl]difluoromethyl}phosphonate
SMILES: [Na+].[Na+].[Na+].[Na+].OC1C(O)C(OC1COP([O-])(=O)OP([O-])(=O)C(F)(F)P([O-])([O-])=O)n1ccc(S)nc1=O
SMILES: [Na+].[Na+].[Na+].[Na+].OC1C(O)C(OC1COP([O-])(=O)OP([O-])(=O)C(F)(F)P([O-])([O-])=O)n1ccc(S)nc1=O
InChI key: KATPYMNMKKBLAH-UHFFFAOYSA-J
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