8-Azido-2'-Deoxyadenosine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C10H16N8O12P3
IUPAC Name [[(2r,3s,5r)-5-(6-amino-8-azido-purine-1,3,7-triium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 533.202 g·mol−1
Heat of Formation -2540.1 ± 16.7 kJ·mol−1
Dipole Moment 6.05 ± 1.08 D
Volume 501.45 Å 3
Surface Area 413.79 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -1.60 ± eV
Point Group Symmetry C1
Synonyms
  • 8-azido-2'-deoxyadenosine-5'-triphosphate
  • 8-n(3)datp
  • [(2r,3s,5r)-5-(6-amino-8-azido-9-purinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(6-amino-8-azido-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(6-amino-8-azido-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(6-amino-8-azidopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • andenosine 5'-(tetrahydrogen triphosphate), 8-azido-2'-deoxy-
CAS Number(s)
  • 117679-32-0
InChIKey SOZZBSOIWRKEQA-KVQBGUIXSA-N
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