3-[(2R,5S)-5-(Hydroxymethyl)Tetrahydro-2-Furanyl]-2,3-Dihydro-7H-[1,2,3]Triazolo[4,5-D]Pyrimidin-7-One

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Formula C9H11N5O3
IUPAC Name 3-[(2r,5s)-5-(hydroxymethyl)tetrahydrofuran-2-yl]triazolo[4,5-d]pyrimidine-2,3,4,6-tetraium-7-one
Molecular Mass 237.215 g·mol−1
Heat of Formation -50.3 ± 16.7 kJ·mol−1
Dipole Moment 9.19 ± 1.08 D
Volume 255.22 Å 3
Surface Area 228.42 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy 1.14 ± eV
Point Group Symmetry C1
Synonyms
  • 2',3'-dideoxy-2,8-diaza-3-deazainosine
  • 2,8-diaza-3-deaza ddi
  • 3-[(2r,5s)-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2h-triazolo[4,5-e]pyrimidin-7-one
  • 3-[(2r,5s)-5-(hydroxymethyl)oxolan-2-yl]-2h-[1,2,3]triazolo[4,5-e]pyrimidin-7-one
  • 3-[(2r,5s)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2h-triazolo[4,5-e]pyrimidin-7-one
  • 3-[(2r,5s)-5-methyloltetrahydrofuran-2-yl]-2h-triazolo[4,5-e]pyrimidin-7-one
InChIKey XNXDZFNQMDVEMW-NTSWFWBYSA-N
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