2'-Deoxy-2'-Fluoroinosine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C10H13FN4O7P
IUPAC Name [(2r,3r,4r,5r)-4-fluoro-3-hydroxy-5-(6-oxo-3h-purine-1,7-diium-4-id-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 351.205 g·mol−1
Heat of Formation -1440.1 ± 16.7 kJ·mol−1
Dipole Moment 8.23 ± 1.08 D
Volume 345.84 Å 3
Surface Area 304.06 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
  • (dif)n
  • 5'-inosinic acid, 2'-deoxy-2'-fluoro-, homopolymer
  • [(2r,3r,4r,5r)-4-fluoro-3-hydroxy-5-(6-keto-3h-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3r,4r,5r)-4-fluoro-3-hydroxy-5-(6-oxo-3h-purin-9-yl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3r,4r,5r)-4-fluoro-3-hydroxy-5-(6-oxo-3h-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3r,4r,5r)-4-fluoro-3-hydroxy-5-(6-oxo-3h-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • poly if
  • poly(2'-deoxy-2'-fluoroinosinic acid)
  • poly(2'-fluoro-2'-deoxyinosinic acid)
CAS Number(s)
  • 68777-95-7
InChIKey HMMSHEYLIDBUMQ-QYYRPYCUSA-N
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