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

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Properties Simple | Detailed

Formula C9H12FN2O9P
IUPAC Name [(2r,3s,4s,5r)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 342.172 g·mol−1
Heat of Formation -2021.7 ± 16.7 kJ·mol−1
Dipole Moment 5.59 ± 1.08 D
Volume 333.12 Å 3
Surface Area 294.87 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(5-phospho-beta-d-arabinofuranosyl)-5-fluorouracil
  • 2,4(1h,3h)-pyrimidinedione, 5-fluoro-1-(5-o-phosphono-beta-d-arabinofuranosyl)-
  • 5-fluorouracil arabinonucleoside 5'-phosphate
  • [(2r,3s,4s,5r)-5-(5-fluoro-2,4-diketo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4s,5r)-5-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4s,5r)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4s,5r)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4s,5r)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
  • ara-fump
CAS Number(s)
  • 17124-23-1
InChIKey RNBMPPYRHNWTMA-MNCSTQPFSA-N
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