2'-Deoxy-2',2'-Difluorocytidine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C9H14F2N3O13P3
IUPAC Name [[(2r,3r,5r)-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-4,4-difluoro-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 503.138 g·mol−1
Heat of Formation -3583.6 ± 16.7 kJ·mol−1
Dipole Moment 9.76 ± 1.08 D
Volume 455.43 Å 3
Surface Area 388.29 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy -1.67 ± eV
Point Group Symmetry C1
Synonyms
  • 2',2'-difluorodeoxycytidine 5'-triphosphate
  • 2,2-df-ctp
  • [(2r,3r,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)-4,4-difluoro-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3r,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-4,4-difluoro-3-hydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4,4-difluoro-3-hydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4,4-difluoro-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3r,5r)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • cytidine 5'-(tetrahydrogen triphosphate), 2'-deoxy-2',2'-difluoro-
  • dfdctp
  • phosphoric acid tri-[(2r,3r,5r)-5-(4-amino-2-oxo-2h-pyrimidin-1-yl)-4,4-difluoro-3-hydroxy-tetrahydro-furan-2-ylmethyl] ester
CAS Number(s)
  • 110988-86-8
InChIKey YMOXEIOKAJSRQX-QPPQHZFASA-N
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