Linear-benzoadenosine diphosphate
HIT212716965
sdf文件结构编辑类似物检索
HIT ID: HIT212716965
Cas No: 61925-59-5
分子式: C14H17N5O10P2
分子量: 477.263
常用名: Linear-benzoadenosine diphosphate
常用名: Linear-benzoadenosine diphosphate
氢键受体数 (HBA): 12
氢键供体数 (HBD): 6
LogP: -4.1804943
IUPAC: [({[(2R,3S,4R,5R)-5-{8-amino-3H-imidazo[4,5-g]quinazolin-3-yl}-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
IUPAC: [({[(2R,3S,4R,5R)-5-{8-amino-3H-imidazo[4,5-g]quinazolin-3-yl}-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
SMILES: Nc1ncnc2cc3n(cnc3cc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
SMILES: Nc1ncnc2cc3n(cnc3cc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
InChI key: QMGBJUQQYZORLL-HKUMRIAESA-N
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