2-Fluoroinosine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C10H12FN4O8P
IUPAC Name [(2r,3s,4r,5r)-5-(2-fluoro-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 366.196 g·mol−1
Heat of Formation -1619.3 ± 16.7 kJ·mol−1
Dipole Moment 11.50 ± 1.08 D
Volume 356.18 Å 3
Surface Area 312.18 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -0.79 ± 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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