8-Azidoadenosine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C10H16N8O13P3
IUPAC Name [[(2r,3s,4r,5r)-5-(6-amino-8-azido-purine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 549.201 g·mol−1
Heat of Formation -2690.0 ± 16.7 kJ·mol−1
Dipole Moment 4.03 ± 1.08 D
Volume 515.99 Å 3
Surface Area 429.02 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -1.47 ± eV
Point Group Symmetry C1
Synonyms
  • 8-azido-atp
  • 8-azidoadenosine 5'-triphosphate
  • [(2r,3s,4r,5r)-5-(6-amino-8-azido-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-8-azido-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-8-azido-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-8-azidopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • adenosine 5'-(tetrahydrogen triphosphate), 8-azido-
CAS Number(s)
  • 53696-59-6
InChIKey PQISXOFEOCLOCT-UUOKFMHZSA-N
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