5-(Methylsulfonyl)-3-(β-D-Ribofuranosyl)-3H-[1,2,3]Triazolo[4,5-D]Pyrimidin-7-Amine

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Properties Simple | Detailed

Formula C10H14N6O6S
IUPAC Name (2r,3r,4s,5r)-2-(7-amino-5-methylsulfonyl-triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 346.320 g·mol−1
Heat of Formation -669.6 ± 16.7 kJ·mol−1
Dipole Moment 5.62 ± 1.08 D
Volume 354.27 Å 3
Surface Area 305.04 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-(7-amino-5-mesyl-triazolo[4,5-e]pyrimidin-3-yl)-5-methylol-tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-(7-amino-5-methylsulfonyl-3-triazolo[4,5-e]pyrimidinyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-(7-amino-5-methylsulfonyl-[1,2,3]triazolo[4,5-e]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
  • (2r,3r,4s,5r)-2-(7-amino-5-methylsulfonyl-triazolo[4,5-e]pyrimidin-3-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • 2-fluoro-8-azaadenosine
  • 3h-1,2,3-triazolo(4,5-d)pyrimidin-7-amine, 5-(methylsulfonyl)-3-beta-d-ribofuranosyl-
InChIKey LDVSSMISRNGKLG-UUOKFMHZSA-N
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