1-[3-Azido-3-Deoxy-5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-β-D-Ribofuranosyl]-1H-1,2,4-Triazole-3-Carboxamide

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Properties Simple | Detailed

Formula C8H14N7O13P3
IUPAC Name [[(2s,3s,4r,5r)-3-azido-5-(3-carbamoyl-1,2,4-triazol-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 509.157 g·mol−1
Heat of Formation -2795.9 ± 16.7 kJ·mol−1
Dipole Moment 6.73 ± 1.08 D
Volume 477.88 Å 3
Surface Area 368.51 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-1,2,4-triazole-3-carboxamide, 1-(3-azido-3-deoxy-5-o-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-d-ribofuranosyl)-
  • 3'-azido-3'-deoxyribavirin-5'-triphosphate
  • [(2s,3s,4r,5r)-3-azido-5-(3-carbamoyl-1,2,4-triazol-1-yl)-4-hydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2s,3s,4r,5r)-3-azido-5-(3-carbamoyl-1,2,4-triazol-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2s,3s,4r,5r)-5-(3-aminocarbonyl-1,2,4-triazol-1-yl)-3-azido-4-hydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
CAS Number(s)
  • 119764-56-6
InChIKey CQCABWRRPZWJEQ-AFCXAGJDSA-N
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