2-Fluoroinosine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C10H13FN4O8P
IUPAC Name [(2r,3s,4r,5r)-5-(2-fluoro-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 367.204 g·mol−1
Heat of Formation -1617.4 ± 16.7 kJ·mol−1
Dipole Moment 11.69 ± 1.08 D
Volume 354.06 Å 3
Surface Area 307.25 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • 2-fimp
  • 2-fluoroinosine monophosphate
  • [(2r,3s,4r,5r)-5-(2-fluoro-6-keto-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-fluoro-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-fluoro-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-fluoro-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-fluoro-6-oxo-3h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CAS Number(s)
  • 84128-36-9
InChIKey FGTAPWQGPXYZLW-UUOKFMHZSA-N
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Elements C F H O N P