HIT ID: HIT218695618

Cas No: 43170-89-4

分子式: C11H18N5O13P3S

分子量: 553.27

常用名: ({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid, 2-MeS-ATP

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: ({[({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid

SMILES: 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: XNOBOKJVOTYSJV-KQYNXXCUSA-N