3-{5-O-[Hydroxy(Phosphonooxy)Phosphoryl]-β-D-Ribofuranosyl}-3H-Imidazo[2,1-I]Purine

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Properties Simple | Detailed

Formula C12H16N5O10P2
IUPAC Name [(2r,3s,4r,5r)-3,4-dihydroxy-5-(7h-imidazo[2,1-f]purine-1,4,9-triium-7-id-3-yl)tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 452.230 g·mol−1
Heat of Formation -2002.2 ± 16.7 kJ·mol−1
Dipole Moment 3.23 ± 1.08 D
Volume 440.56 Å 3
Surface Area 379.46 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
Synonyms
  • 1,n(6)-etheno-adp
  • 1,n(6)-ethenoadenosine diphosphate
  • 3h-imidazo(2,1-i)purine, 3-(5-o-(hydroxy(phosphonooxy)phosphinyl)-beta-d-ribofuranosyl)-
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(3-imidazo[2,1-f]purinyl)-2-tetrahydrofuranyl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yl-oxolan-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yl-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methyl phosphono hydrogen phosphate
  • epsilon-adp
  • ethenoadenosine diphosphate
  • neadp
CAS Number(s)
  • 38806-39-2
InChIKey OWCTWNCXGDVJGX-WOUKDFQISA-N
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