2'-Deoxy-2'-Fluorouridine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C9H14FN2O14P3++
IUPAC Name [[(2r,3r,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 486.132 g·mol−1
Heat of Formation -3620.2 ± 16.7 kJ·mol−1
Dipole Moment 5.18 ± 1.08 D
Volume 441.19 Å 3
Surface Area 350.15 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy -1.67 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxy-2'-fluorouridine-5'-triphosphate
  • [(2r,3r,4r,5r)-5-(2,4-diketopyrimidin-1-yl)-4-fluoro-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3r,4r,5r)-5-(2,4-dioxo-1-pyrimidinyl)-4-fluoro-3-hydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3r,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3r,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3r,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • uridine 5'-(tetrahydrogen triphosphate), 2'-deoxy-2'-fluoro-
CAS Number(s)
  • 66840-02-6
InChIKey HCXHLIFQJYSIBK-XVFCMESISA-N
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