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

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Formula C11H11N5O13P3
IUPAC Name 2-[3-[(5z)-5-(5,7-dioxido-5,7-dioxo-1,2,4,6,8,10-hexaoxa-5λ5,7λ5-diphospha-3-phosphoniaspiro[2.7]decan-9-ylidene)-3,4-dioxo-tetrahydrofuran-2-yl]-5-methyl-2,4-dihydroimidazol-4-yl]acetonitrile; molecular nitrogen
Molecular Mass 514.152 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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