4-[(4-Nitrobenzyl)Sulfanyl]-1-(β-D-Ribofuranosyl)-1H-Pyrazolo[3,4-D]Pyrimidine

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Formula C17H17N5O6S
IUPAC Name (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[4-[(4-nitrophenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-1-yl]tetrahydrofuran-3,4-diol
Molecular Mass 419.412 g·mol−1
Heat of Formation -329.1 ± 16.7 kJ·mol−1
Dipole Moment 4.64 ± 1.08 D
Volume 447.29 Å 3
Surface Area 390.41 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -1.53 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[4-[(4-nitrophenyl)methylsulfanyl]pyrazolo[4,5-e]pyrimidin-1-yl]oxolane-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[4-[(4-nitrophenyl)methylsulfanyl]pyrazolo[4,5-e]pyrimidin-1-yl]tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[4-[(4-nitrophenyl)methylthio]-1-pyrazolo[4,5-e]pyrimidinyl]tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-methylol-5-[4-[(4-nitrobenzyl)thio]pyrazolo[4,5-e]pyrimidin-1-yl]tetrahydrofuran-3,4-diol
  • 1h-pyrazolo(3,4-d)pyrimidine, 4-(((4-nitrophenyl)methyl)thio)-1-beta-d-ribofuranosyl-
  • 7-((4-nitrobenzyl)thio)-3-(beta-d-ribofuranosyl)pyrazolo(4,3-d)pyrimidine
  • 7-nbtf
  • nitrobenzylthioformycin
InChIKey NSHWXIMQXLHUQU-VMUDFCTBSA-N
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