1-{2,3-Dideoxy-3-Fluoro-5-O-[Fluoro(Hydroxy)Phosphoryl]-β-D-Threo-Pentofuranosyl}-5-Methyl-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C10H13F2N2O6P
IUPAC Name fluoro-[[(2r,3r,5r)-3-fluoro-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphinic acid
Molecular Mass 326.191 g·mol−1
Heat of Formation -1824.4 ± 16.7 kJ·mol−1
Dipole Moment 6.01 ± 1.08 D
Volume 329.01 Å 3
Surface Area 279.15 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy 2.41 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-f-dtfp
  • 3'-fluoro-3'-deoxythymidine-5'-fluorophosphate
  • 3'-fluoro-3'-deoxythymidine-5'-phosphorofluoridate
  • [(2r,3r,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-fluoro-tetrahydrofuran-2-yl]methoxy-fluoro-phosphinic acid
  • fluoro-[[(2r,3r,5r)-3-fluoro-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methoxy]phosphinic acid
  • fluoro-[[(2r,3r,5r)-3-fluoro-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinic acid
  • fluoro-[[(2r,3r,5r)-3-fluoro-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphinic acid
  • fluoro-[[(2r,3r,5r)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinic acid
  • thymidine, 3'-deoxy-3'-fluoro-, 5-(hydrogen phosphorofluoridate)
CAS Number(s)
  • 152829-59-9
InChIKey GRVFNODAPVLGHG-BWZBUEFSSA-N
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