1-[2-Deoxy-2-Fluoro-5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-β-D-Arabinofuranosyl]-5-Iodo-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C9H13FIN2O14P3++
IUPAC Name [[(2r,3r,4s,5r)-4-fluoro-3-hydroxy-5-(5-iodo-2,4-dioxo-pyrimidin-1-ium-5-id-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 612.029 g·mol−1
Heat of Formation -3536.9 ± 16.7 kJ·mol−1
Dipole Moment 6.90 ± 1.08 D
Volume 474.82 Å 3
Surface Area 359.53 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 1.40 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3r,4s,5r)-4-fluoro-3-hydroxy-5-(5-iodo-2,4-diketo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3r,4s,5r)-4-fluoro-3-hydroxy-5-(5-iodo-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3r,4s,5r)-4-fluoro-3-hydroxy-5-(5-iodo-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3r,4s,5r)-4-fluoro-3-hydroxy-5-(5-iodo-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3r,4s,5r)-4-fluoro-3-hydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • fiautp
  • {[(4s,2r,3r,5r)-4-fluoro-3-hydroxy-5-(5-iodo-2,4-dioxo(1,3-dihydropyrimidinyl))oxolan-2-yl]methoxy}(hydroxyphosphoryl) dihydrogen phosphate
InChIKey UGOFYLDSQPJIEI-BYPJNBLXSA-N
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