8-Oxo-8-Hydroadenosine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C10H18N5O14P3
IUPAC Name [(2r,3s,4r,5r)-5-(6-amino-8-oxo-7h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
Molecular Mass 525.196 g·mol−1
Heat of Formation -3285.9 ± 16.7 kJ·mol−1
Dipole Moment 3.37 ± 1.08 D
Volume 483.39 Å 3
Surface Area 405.78 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -1.32 ± eV
Point Group Symmetry C1
Synonyms
  • 8-hydroxy-atp
  • 8-hydroxyadenosine 5'-triphosphate
  • [(2r,3s,4r,5r)-5-(6-amino-8-keto-7h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-8-oxo-7h-purin-9-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-8-oxo-7h-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-8-oxo-7h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • adenosine 5'-(tetrahydrogen triphosphate), 7,8-dihydro-8-oxo-
CAS Number(s)
  • 68745-44-8
InChIKey CAIHKAFUTAIAPY-UUOKFMHZSA-N
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