2-Fluoroadenosine 5'-(Trihydrogen Diphosphate)

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Properties Simple | Detailed

Formula C10H14FN5O10P2
IUPAC Name [(2r,3s,4r,5r)-5-(6-amino-2-fluoro-purine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 445.192 g·mol−1
Heat of Formation -2332.7 ± 16.7 kJ·mol−1
Dipole Moment 4.86 ± 1.08 D
Volume 428.04 Å 3
Surface Area 364.88 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 1.60 ± eV
Point Group Symmetry C1
Synonyms
  • 2-fluoro-adenosine diphosphate
  • 2-fluoro-adp
  • [(2r,3s,4r,5r)-5-(6-amino-2-fluoro-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-2-fluoro-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-2-fluoro-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
  • adenosine 5'-(2-fluorodiphosphate)
  • adenosine, 5'-(trihydrogen diphosphate), 2-fluoro-
  • adp-beta-f
  • betafadp
CAS Number(s)
  • 1492-61-1
InChIKey ZAHBDWMZWHJOLZ-UUOKFMHZSA-N
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