5-Amino-3-(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 C9H12N6O5
IUPAC Name 5-amino-3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]triazolo[4,5-d]pyrimidine-2,3,4,6-tetraium-7-one
Molecular Mass 284.229 g·mol−1
Heat of Formation -414.4 ± 16.7 kJ·mol−1
Dipole Moment 4.33 ± 1.08 D
Volume 292.57 Å 3
Surface Area 254.38 Å 2
HOMO Energy -10.02 ± 0.55 eV
LUMO Energy -1.93 ± eV
Point Group Symmetry C1
Synonyms
  • 7h-1,2,3-triazolo(4,5-d)pyrimidin-7-one, 5-amino-3,4-dihydro-3-beta-d-ribofuranosyl- (9ci)
  • 7h-v-triazolo(4,5-d)pyrimidin-7-one, 5-amino-3,6-dihydro-3-beta-d-ribofuranosyl
  • azaguanosine
InChIKey PFIXFNFIQKRYHC-UMMCILCDSA-N
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