7-(5-O-Phosphono-β-D-Ribofuranosyl)-7H-Imidazo[4,5-D][1,2,3]Triazin-4-Amine

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Properties Simple | Detailed

Formula C9H13N6O7P
IUPAC Name [(2r,3s,4r,5r)-5-(4-aminoimidazo[4,5-d]triazin-7-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 348.209 g·mol−1
Heat of Formation -1185.2 ± 16.7 kJ·mol−1
Dipole Moment 4.10 ± 1.08 D
Volume 344.86 Å 3
Surface Area 299.19 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy -1.44 ± eV
Point Group Symmetry C1
Synonyms
  • 7h-imidazo(4,5-d)-1,2,3-triazin-4-amine, 7-(5-o-phosphono-beta-d-ribofuranosyl)-, homopolymer
  • [(2r,3s,4r,5r)-5-(4-amino-7-imidazo[5,4-d]triazinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-aminoimidazo[5,4-d][1,2,3]triazin-7-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-aminoimidazo[5,4-d]triazin-7-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • poly(2-azaadenylic acid)
CAS Number(s)
  • 65170-12-9
InChIKey FZLNGBMFLQBRHE-UUOKFMHZSA-N
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