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

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Formula C10H13FN5O6P
IUPAC Name [(2r,3r,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-fluoro-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 349.212 g·mol−1
Heat of Formation -1287.5 ± 16.7 kJ·mol−1
Dipole Moment 2.13 ± 1.08 D
Volume 349.25 Å 3
Surface Area 314.25 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3r,4r,5r)-5-(6-amino-9-purinyl)-4-fluoro-3-hydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-fluoro-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
  • poly(2'-deoxy-2'-fluoroadenylic acid)
  • poly(2'-fluoro-2'-deoxyadenylic acid)
  • poly-fdaa
InChIKey WMEBOUQKZKATDW-QYYRPYCUSA-N
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