5-Amino-1-[2-Deoxy-5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-β-D-Erythro-Pentofuranosyl]-1H-Imidazole-4-Carboxamide

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Properties Simple | Detailed

Formula C9H17N4O13P3
IUPAC Name [[(2r,3s,5r)-5-(5-amino-4-carbamoyl-imidazol-1-ium-5-ylium-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 482.172 g·mol−1
Heat of Formation -3254.6 ± 16.7 kJ·mol−1
Dipole Moment 3.92 ± 1.08 D
Volume 451.51 Å 3
Surface Area 340.1 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -1.63 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-imidazole-4-carboxamide, 5-amino-1-(2-deoxy-5-o-(hydroxy((hydroxy(phasphonooxy)phosphinyl)oxy)phosphinyl)-beta-d-erythro-pentofuranosyl)-
  • 5-amino-1-(2'-deoxy-beta-ribofuranosyl)imidazole-4-carboxamide-5'-triphosphate
  • [(2r,3s,5r)-5-(5-amino-4-aminocarbonyl-imidazol-1-yl)-3-hydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(5-amino-4-carbamoyl-1-imidazolyl)-3-hydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(5-amino-4-carbamoyl-imidazol-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(5-amino-4-carbamoylimidazol-1-yl)-3-hydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • dztp
CAS Number(s)
  • 133179-57-4
InChIKey ZSWKTONLZMNFPT-KVQBGUIXSA-N
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