5-PA-dUTP
HIT214322782
sdf文件结构编辑类似物检索
HIT ID: HIT214322782
Cas No: 179101-49-6
分子式: C12H18N3O14P3
分子量: 521.204
常用名: 5-PA-dUTP
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: ({[({[(2R,3S,5R)-5-[5-(3-aminoprop-1-yn-1-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
IUPAC: ({[({[(2R,3S,5R)-5-[5-(3-aminoprop-1-yn-1-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
SMILES: NCC#Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)[nH]c1=O
SMILES: NCC#Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)[nH]c1=O
InChI key: BGGIMXKBIBMKBL-IVZWLZJFSA-N
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