3-{5-O-[Hydroxy(Phosphonooxy)Phosphoryl]-β-D-Ribofuranosyl}-3H-Imidazo[4,5-G]Quinazolin-8-Amine

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Formula C14H17N5O10P2
IUPAC Name [(2r,3s,4r,5r)-5-(8-aminoimidazo[4,5-g]quinazolin-3-ium-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 477.260 g·mol−1
Heat of Formation -2109.0 ± 16.7 kJ·mol−1
Dipole Moment 1.93 ± 1.08 D
Volume 468.0 Å 3
Surface Area 384.43 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
Synonyms
  • 3h-imidazo(4,5-g)quinazolin-8-amine, 3-(5-o-(hydroxy(phosphonooxy)phosphinyl)-beta-d-ribofuranosyl)-
  • [(2r,3s,4r,5r)-5-(8-amino-3-imidazo[4,5-g]quinazolinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(8-aminoimidazo[4,5-g]quinazolin-3-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(8-aminoimidazo[4,5-g]quinazolin-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(8-aminoimidazo[4,5-g]quinazolin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
  • lin-benzo-adp
  • linear-benzoadenosine diphosphate
CAS Number(s)
  • 61925-59-5
InChIKey QMGBJUQQYZORLL-HKUMRIAESA-N
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