3'-Deoxy-3'-Fluoro-5'-O-[Fluoro(Hydroxy)Phosphoryl]Thymidine

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Properties Simple | Detailed

Formula C10H13F2N2O6P
IUPAC Name fluoro-[[(2r,3s,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 -1829.5 ± 16.7 kJ·mol−1
Dipole Moment 5.31 ± 1.08 D
Volume 330.11 Å 3
Surface Area 281.02 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4(1h,3h)-pyrimidinedione, 1-[2,3-dideoxy-3-fluoro-5-o-(fluorohydroxyphosphinyl)-.beta.-d-erythro-pentofuranosyl]-5-methyl-
  • [(2r,3s,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-fluoro-tetrahydrofuran-2-yl]methoxy-fluoro-phosphinic acid
  • fluoro-[[(2r,3s,5r)-3-fluoro-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methoxy]phosphinic acid
  • fluoro-[[(2r,3s,5r)-3-fluoro-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinic acid
  • fluoro-[[(2r,3s,5r)-3-fluoro-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphinic acid
InChIKey GRVFNODAPVLGHG-XLPZGREQSA-N
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