MBC-11 triethylamine
HIT212673209
sdf文件结构编辑类似物检索
HIT ID: HIT212673209
Cas No:
分子式: C17H35N4O14P3
分子量: 612.402
常用名: MBC-11 triethylamine
氢键受体数 (HBA): 14
氢键供体数 (HBD): 8
LogP: -4.1073394
IUPAC: (1-{[({[(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}-1-hydroxyethyl)phosphonic acid; triethylamine
IUPAC: (1-{[({[(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}-1-hydroxyethyl)phosphonic acid; triethylamine
SMILES: CCN(CC)CC.CC(O)(P(O)(O)=O)P(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)n1ccc(N)nc1=O
SMILES: CCN(CC)CC.CC(O)(P(O)(O)=O)P(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)n1ccc(N)nc1=O
InChI key: KSJMUOBBQFQDAA-UIRRGPDLSA-N
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