2,8-Diazidoadenosine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C10H14N11O13P3
IUPAC Name [[(2r,3s,4r,5r)-5-(6-amino-2,8-diazido-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 589.205 g·mol−1
Heat of Formation -2378.8 ± 16.7 kJ·mol−1
Dipole Moment 5.72 ± 1.08 D
Volume 545.61 Å 3
Surface Area 412.68 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
Synonyms
  • 2,8-diazido-atp
  • 2,8-diazidoadenosine 5'-triphosphate
  • 2,8-din3atp
  • [(2r,3s,4r,5r)-5-(6-amino-2,8-diazido-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-2,8-diazido-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-2,8-diazido-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
CAS Number(s)
  • 137705-53-4
InChIKey HTVDKOBGQANFRW-UMMCILCDSA-N
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