2'-Deoxy-5-(Trifluoromethyl)Uridine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C10H14F3N2O14P3++
IUPAC Name [[(2r,3s,5r)-5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 536.140 g·mol−1
Heat of Formation -4140.0 ± 16.7 kJ·mol−1
Dipole Moment 5.46 ± 1.08 D
Volume 476.77 Å 3
Surface Area 357.26 Å 2
HOMO Energy -10.12 ± 0.55 eV
LUMO Energy -1.89 ± eV
Point Group Symmetry C1
Synonyms
  • 5-trifluoromethyl-2'-deoxyuridine 5'-triphosphate
  • [(2r,3s,5r)-5-[2,4-diketo-5-(trifluoromethyl)pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-[2,4-dioxo-5-(trifluoromethyl)-1-pyrimidinyl]-3-hydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-3-hydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • alpha,alpha,alpha-trifluorothymidine 5'-(tetrahydrogen triphosphate)
CAS Number(s)
  • 345-03-9
InChIKey VSXILDJQEIBHQR-RRKCRQDMSA-N
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