tetrasodium {[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-2-sulfanylidene-3H-pyrimidin-1-yl)oxolan-2-yl]methyl phosphonato}oxy(phosphonatooxy)phosphinate, 2-Thio-UTP tetrasodium
HIT218683474
sdf文件结构编辑类似物检索
HIT ID: HIT218683474
Cas No:
分子式: C9H11N2Na4O14P3S
分子量: 588.13
常用名: tetrasodium {[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-2-sulfanylidene-3H-pyrimidin-1-yl)oxolan-2-yl]methyl phosphonato}oxy(phosphonatooxy)phosphinate, 2-Thio-UTP tetrasodium
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: tetrasodium ({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methyl phosphonato}oxy)(phosphonatooxy)phosphinate
SMILES: [Na+].[Na+].[Na+].[Na+].O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)n1ccc(=O)[nH]c1=S
InChI key: QCBCNKBBEOQRRB-ODQFIEKDSA-J
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