Name: Benzoyl coenzyme A trilithium
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219574404
Cas No:102185-37-5
常用名:Benzoyl coenzyme A trilithium
别名:苯甲酰辅酶A锂盐, Benzoyl coenzyme A trilithium, Benzoyl CoA trilithium
别名:苯甲酰辅酶A锂盐, Benzoyl coenzyme A trilithium, Benzoyl CoA trilithium
IUPAC:{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-(benzoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](lithiooxy)phosphoryl}oxy)(lithiooxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}(lithiooxy)phosphinic acid
IUPAC:{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-(benzoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](lithiooxy)phosphoryl}oxy)(lithiooxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}(lithiooxy)phosphinic acid
InChI key:KIGJHLUVSFPNCQ-GHKZVKPSSA-K

分子式:C28H37Li3N7O17P3S
分子量:889.44
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Li]OP(O)(=O)O[C@@H]1[C@@H](COP(=O)(O[Li])OP(=O)(O[Li])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c2ccccc2)O[C@H]([C@@H]1O)n1cnc2c(N)ncnc12
SMILES:[Li]OP(O)(=O)O[C@@H]1[C@@H](COP(=O)(O[Li])OP(=O)(O[Li])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c2ccccc2)O[C@H]([C@@H]1O)n1cnc2c(N)ncnc12

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