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

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Properties Simple | Detailed

Formula C9H12N5O8P
IUPAC Name [(2r,3s,4r,5r)-3,4-dihydroxy-5-(4-oxo-1h-imidazo[4,5-d]triazin-7-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 349.194 g·mol−1
Heat of Formation -1314.2 ± 16.7 kJ·mol−1
Dipole Moment 11.89 ± 1.08 D
Volume 342.31 Å 3
Surface Area 302.73 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-imidazo(4,5-d)-1,2,3-triazin-4-one, 1,7-dihydro-7-(5-o-phosphono-beta-d-ribofuranosyl)-, homopolymer
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(4-keto-1h-imidazo[4,5-e]triazin-7-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(4-oxo-1h-imidazo[4,5-e][1,2,3]triazin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(4-oxo-1h-imidazo[4,5-e]triazin-7-yl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(4-oxo-1h-imidazo[4,5-e]triazin-7-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • poly(2-azainosinic acid)
CAS Number(s)
  • 65170-09-4
InChIKey BSORFZRIIHQFNC-UUOKFMHZSA-N
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