4-(Methylthio)-1-.β.-D-Ribofuranosylpyrazolo[3,4-D]Pyrimidine

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Properties Simple | Detailed

Formula C11H14N4O4S
IUPAC Name (2r,3s,4r,5r)-2-(hydroxymethyl)-5-(4-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-ium-2-id-1-yl)tetrahydrofuran-3,4-diol
Molecular Mass 298.318 g·mol−1
Heat of Formation -413.2 ± 16.7 kJ·mol−1
Dipole Moment 2.45 ± 1.08 D
Volume 323.7 Å 3
Surface Area 283.3 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 1.81 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-(4-methylsulfanylpyrazolo[4,5-e]pyrimidin-1-yl)oxolane-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-(4-methylsulfanylpyrazolo[4,5-e]pyrimidin-1-yl)tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[4-(methylthio)-1-pyrazolo[4,5-e]pyrimidinyl]tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-methylol-5-[4-(methylthio)pyrazolo[4,5-e]pyrimidin-1-yl]tetrahydrofuran-3,4-diol
  • 1-rmmpp
  • 1beta-ribofuranosyl-4-(methylmercapto)pyrazolo(3,4-d)pyrimidine
  • 1h-pyrazolo(3,4-d)pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-
InChIKey MNNOKJSDVULTAU-KCGFPETGSA-N
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