1-(2-Deoxy-2-Fluoro-5-O-Phosphono-β-D-Arabinofuranosyl)-5-Fluoro-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C9H11F2N2O8P++
IUPAC Name [(2r,3r,4s,5r)-4-fluoro-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 344.163 g·mol−1
Heat of Formation -2048.2 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 329.31 Å 3
Surface Area 278.23 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • 2',5-difluoro-1-arabinosyluridine monophosphate
  • 2',5-difluoro-2'-deoxy-1-arabinosyluridylate
  • 2,4(1h,3h)-pyrimidinedione, 1-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-5-fluoro-
  • [(2r,3r,4s,5r)-4-fluoro-5-(5-fluoro-2,4-diketo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3r,4s,5r)-4-fluoro-5-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3r,4s,5r)-4-fluoro-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3r,4s,5r)-4-fluoro-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3r,4s,5r)-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
  • ff-ara-ump
CAS Number(s)
  • 85894-46-8
InChIKey FEEBOLVDMGNROC-BYPJNBLXSA-N
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