HIT ID: HIT218543939
Cas No: 134646-41-6
分子式: C10H14ClFN5O12P3
分子量: 543.61
常用名: Clofarabine-5'-triphosphate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: ({[({[(2R,3R,4S,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
IUPAC: ({[({[(2R,3R,4S,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
SMILES: Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@@H]1F
SMILES: Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@@H]1F
InChI key: ILZCVFJUTWHERD-AYQXTPAHSA-N
