HIT ID: HIT219228768
Cas No: 100020-57-3
分子式: C11H14N5Na4O13P3S
分子量: 641.2
常用名: 2-Methylthio-ATP tetrasodium
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: tetrasodium ({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)(phosphonatooxy)phosphinate
IUPAC: tetrasodium ({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)(phosphonatooxy)phosphinate
SMILES: [Na+].[Na+].[Na+].[Na+].CSc1nc(N)c2ncn([C@@H]3O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]3O)c2n1
SMILES: [Na+].[Na+].[Na+].[Na+].CSc1nc(N)c2ncn([C@@H]3O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]3O)c2n1
InChI key: UEEFBRHXFDJPTA-KWIZKVQNSA-J
