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

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Properties Simple | Detailed

Formula C9H13N6O8P
IUPAC Name [(2r,3s,4r,5r)-5-(5-amino-7-oxo-triazolo[4,5-d]pyrimidine-2,3,4,6-tetraium-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 364.209 g·mol−1
Heat of Formation -1228.5 ± 16.7 kJ·mol−1
Dipole Moment 6.15 ± 1.08 D
Volume 360.67 Å 3
Surface Area 306.53 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy -1.67 ± eV
Point Group Symmetry C1
Synonyms
  • 7h-1,2,3-triazolo(4,5-d)pyrimidin-7-one, 5-amino-3,6-dihydro-3-(5-o-phosphono-beta-d-ribofuranosyl)-
  • 8-aza-gmp
  • 8-azaguanosine-5'-monophosphate
  • [(2r,3s,4r,5r)-5-(5-amino-7-keto-2h-triazolo[5,4-d]pyrimidin-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(5-amino-7-oxo-2h-[1,2,3]triazolo[5,4-d]pyrimidin-3-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(5-amino-7-oxo-2h-triazolo[5,4-d]pyrimidin-3-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(5-amino-7-oxo-2h-triazolo[5,4-d]pyrimidin-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
CAS Number(s)
  • 1165-66-8
InChIKey OJUHSJJHRFFVGB-UMMCILCDSA-N
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