2'-Deoxy-2'-Fluoroadenosine 5'-(Trihydrogen Diphosphate)

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Properties Simple | Detailed

Formula C10H14FN5O9P2
IUPAC Name [(2r,3r,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-fluoro-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 429.192 g·mol−1
Heat of Formation -2170.7 ± 16.7 kJ·mol−1
Dipole Moment 2.69 ± 1.08 D
Volume 408.66 Å 3
Surface Area 346.04 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -1.71 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-de-2'-fladdp
  • 2'-deoxy-2'-fluoroadenosine 5'-diphosphate
  • [(2r,3r,4r,5r)-5-(6-amino-9-purinyl)-4-fluoro-3-hydroxy-2-tetrahydrofuranyl]methyl phosphono hydrogen phosphate
  • [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-fluoro-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
  • adenosine 5'-(trihydrogen diphosphate), 2'-deoxy-2'-fluoro-
CAS Number(s)
  • 68357-16-4
InChIKey SYZPLSDXCWMVQL-QYYRPYCUSA-N
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