Name: 8-(2-azidobenzylthio) NAD+ sodium
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT220912029
Cas No:
常用名:8-(2-azidobenzylthio) NAD+ sodium
常用名:8-(2-azidobenzylthio) NAD+ sodium
别名:Click Tag™ 8-(2-azidobenzylthio) NAD+, 8-(2-azidobenzylthio) Nicotinamide adenine dinucleotide
别名:Click Tag™ 8-(2-azidobenzylthio) NAD+, 8-(2-azidobenzylthio) Nicotinamide adenine dinucleotide
IUPAC:sodium 1-[(2R,3R,4S,5R)-5-({[({[(2R,3S,4R,5R)-5-(6-amino-8-{[(2-azidophenyl)methyl]sulfanyl}-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)(oxido)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1lambda5-pyridin-1-ylium
IUPAC:sodium 1-[(2R,3R,4S,5R)-5-({[({[(2R,3S,4R,5R)-5-(6-amino-8-{[(2-azidophenyl)methyl]sulfanyl}-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)(oxido)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1lambda5-pyridin-1-ylium
InChI key:InChIKey=BEQHHLKOGJDOEW-JXNYOHTBSA-M

分子式:C28H31N10NaO14P2S
分子量:848.61
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na+].NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2c(SCc3ccccc3N=[N+]=[N-])nc3c(N)ncnc23)[C@@H](O)[C@H]1O
SMILES:[Na+].NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2c(SCc3ccccc3N=[N+]=[N-])nc3c(N)ncnc23)[C@@H](O)[C@H]1O

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