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

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Properties Simple | Detailed

Formula C14H18N5O13P3
IUPAC Name [[(2r,3s,4r,5r)-5-(8-aminoimidazo[4,5-g]quinazolin-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 557.240 g·mol−1
Heat of Formation -2948.0 ± 16.7 kJ·mol−1
Dipole Moment 3.77 ± 1.08 D
Volume 537.19 Å 3
Surface Area 440.55 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -1.74 ± eV
Point Group Symmetry C1
Synonyms
  • 3h-imidazo(4,5-g)quinazolin-8-amine, 3-(5-o-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-d-ribofuranosyl)-
  • [(2r,3s,4r,5r)-5-(8-amino-3-imidazo[4,5-g]quinazolinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(8-aminoimidazo[4,5-g]quinazolin-3-yl)-3,4-dihydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(8-aminoimidazo[4,5-g]quinazolin-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(8-aminoimidazo[4,5-g]quinazolin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • benzo-adenosine triphosphate
  • benzo-atp
  • linear benzo-atp
CAS Number(s)
  • 61925-58-4
InChIKey GQKSSPZWXCSSJT-HKUMRIAESA-N
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