Gemcitabine 5'-diphosphate

[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate

Also Known As: Gemcitabine 5'-diphosphate|DFDCDP|GEMCITABINE DIPHOSPHATE|Gemcitabine-5'-diphosphate|2'-deoxy-2',2'-difluorocytidine 5'-(trihydrogen diphosphate)|2'-deoxy-2',2'-difluorocytidine 5'-diphosphate|[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate|CYTIDINE 5'-(TRIHYDROGEN DIPHOSPHATE), 2'-DEOXY-2',2'-DIFLUORO-|2 ,2 -Difluoro-2 -deoxycytidine 5 -diphosphoric acid|2 -Deoxy-2 ,2 -difluorocytidine-5 -diphosphoric acid|cytidine, 5'-(trihydrogen diphosphate), 2'-deoxy-2',2'-difluoro-|GCQ|((2R,3R,5R)-5-(4-AMINO-2-OXOPYRIMIDIN-1(2H)-YL)-4,4-DIFLUORO-3-HYDROXYTETRAHYDROFURAN-2-YL)METHYL TRIHYDROGEN DIPHOSPHATE|[({[(2R,3R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid

Molecular Formula	C9H13F2N3O10P2
Molecular Weight	423.00443 g/mol
LogP	-1.0546
Topological Polar Surface Area	203.66 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	9
Rotatable Bonds	6
Exact Mass	423.00443
Monoisotopic Mass	423.00443
Heavy Atoms	26
Complexity	828.2094

Chemical Identifiers

CAS Number	116371-66-5
SMILES	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)(F)F