[(2S,3S,5R)-5-(2-Amino-8-Azido-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-3-Hydroxytetrahydro-2-Furanyl]Methylene Bis[Dihydrogen (Phosphate)]

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Properties Simple | Detailed

Formula C10H16N8O11P2
IUPAC Name [[(2s,3s,5r)-5-(2-amino-8-azido-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]-phosphonooxy-methyl] dihydrogen phosphate
Molecular Mass 486.229 g·mol−1
Heat of Formation -2058.4 ± 16.7 kJ·mol−1
Dipole Moment 6.81 ± 1.08 D
Volume 466.2 Å 3
Surface Area 384.82 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-guanylic acid, 8-azido-, (3alpha,5beta,7alpha,12alpha,24xi)-
  • 8-azidoguanosine-3',5'-diphosphate
  • 8-n(3)gdp
  • [[(2s,3s,5r)-5-(2-amino-8-azido-6-keto-3h-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]-phosphonooxy-methyl] dihydrogen phosphate
  • [[(2s,3s,5r)-5-(2-amino-8-azido-6-oxo-3h-purin-9-yl)-3-hydroxy-2-tetrahydrofuranyl]-phosphonooxymethyl] dihydrogen phosphate
  • [[(2s,3s,5r)-5-(2-amino-8-azido-6-oxo-3h-purin-9-yl)-3-hydroxy-oxolan-2-yl]-phosphonooxy-methyl] dihydrogen phosphate
  • [[(2s,3s,5r)-5-(2-amino-8-azido-6-oxo-3h-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]-phosphonooxy-methyl] dihydrogen phosphate
  • [[(2s,3s,5r)-5-(2-amino-8-azido-6-oxo-3h-purin-9-yl)-3-hydroxyoxolan-2-yl]-phosphonooxymethyl] dihydrogen phosphate
CAS Number(s)
  • 93590-12-6
InChIKey KRGHTHVFJWZCIS-LWKDLAHASA-N
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