Name: Nicotinamide Riboside Triflate
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212717433
Cas No:445489-49-6
常用名:Nicotinamide Riboside Triflate
IUPAC:3-carbamoyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1lambda5-pyridin-1-ylium trifluoromethanesulfonate
IUPAC:3-carbamoyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1lambda5-pyridin-1-ylium trifluoromethanesulfonate
InChI key:ZEWRNTDQENDMQK-IVOJBTPCSA-N

分子式:C12H15F3N2O8S
分子量:404.31
氢键供体数 (HBD):4
氢键受体数 (HBA):5
LogP:-6.120782
SMILES:[O-]S(=O)(=O)C(F)(F)F.NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
SMILES:[O-]S(=O)(=O)C(F)(F)F.NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

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