3'-Deoxy-3'-Fluorothymidine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C10H16FN2O13P3
IUPAC Name [[(2r,3s,5r)-3-fluoro-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 484.159 g·mol−1
Heat of Formation -3503.1 ± 16.7 kJ·mol−1
Dipole Moment 2.25 ± 1.08 D
Volume 459.38 Å 3
Surface Area 353.96 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -1.69 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-f-dttp
  • 3'-fddttp
  • 3'-fluoro-2',3'-dideoxythymidine-5'- triphosphate
  • 3'-fluoro-3'-deoxythymidine triphosphate
  • 3'-fluorothymidine-5'-triphosphate
  • 3'-ft-tp
  • [(2r,3s,5r)-3-fluoro-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-3-fluoro-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-3-fluoro-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-fluoro-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • fdttp
  • flt-tp
  • thymidine 5'-(tetrahydrogen triphosphate), 3'-deoxy-3'-fluoro-
CAS Number(s)
  • 40026-13-9
InChIKey UNKRRBWXJZNMAN-XLPZGREQSA-N
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