2'-Deoxy-2-Oxo-2-Hydroadenosine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C10H16N5O13P3
IUPAC Name [[(2r,3s,5r)-5-(6-amino-2-oxo-1h-purine-3,7-diium-6-id-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 507.181 g·mol−1
Heat of Formation -3122.7 ± 16.7 kJ·mol−1
Dipole Moment 4.22 ± 1.08 D
Volume 460.57 Å 3
Surface Area 337.02 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -1.66 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,5r)-5-(6-amino-2-keto-1h-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(6-amino-2-oxo-1h-purin-9-yl)-3-hydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(6-amino-2-oxo-1h-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(6-amino-2-oxo-1h-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(6-amino-2-oxo-1h-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
InChIKey UOACBPRDWRDEHJ-KVQBGUIXSA-N
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