Name: NAAD sodium salt
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214319960
Cas No:104809-30-5
常用名:NAAD sodium salt
别名:NAAD钠盐, NAAD Na, NaAD, NAAD Na salt, Deamido Nad Sodium Salt
别名:NAAD钠盐, NAAD Na, NaAD, NAAD Na salt, Deamido Nad Sodium Salt
IUPAC:1-[(2R,3R,4S,5R)-5-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1lambda5-pyridin-1-ylium-3-carboxylate sodium
IUPAC:1-[(2R,3R,4S,5R)-5-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1lambda5-pyridin-1-ylium-3-carboxylate sodium
InChI key:SSMFFDBXAUKIMZ-RHANTIMGSA-N

分子式:C21H26N6NaO15P2
分子量:687.403
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na].Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]2cccc(c2)C([O-])=O)[C@@H](O)[C@H]1OjcExt:v:0:0
SMILES:[Na].Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]2cccc(c2)C([O-])=O)[C@@H](O)[C@H]1OjcExt:v:0:0

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