Nbti

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Formula C17H17N5O6S
IUPAC Name (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-[(4-nitrophenyl)methylsulfanyl]purine-1,3,7-triium-9-yl]tetrahydrofuran-3,4-diol
Molecular Mass 419.412 g·mol−1
Heat of Formation -361.5 ± 16.7 kJ·mol−1
Dipole Moment 8.04 ± 1.08 D
Volume 449.37 Å 3
Surface Area 390.19 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 1.58 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]oxolane-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-[(4-nitrophenyl)methylthio]-9-purinyl]tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-methylol-5-[6-[(4-nitrobenzyl)thio]purin-9-yl]tetrahydrofuran-3,4-diol
  • 4-nitrobenzylthioinosine
  • 6-(((4-nitrophenyl)methyl)thio)-9-beta-d-ribofuranosyl-9h-purine
  • 6-((4-nitrobenzyl)thio)-9-beta-d-ribofuranosylpurine
  • 6-[(4-nitrobenzyl)thio]-9-beta-d-ribofuranosylpurine
  • 9h-purine, 6-(((4-nitrophenyl)methyl)thio)-9-beta-d-ribofuranosyl-
  • 9h-purine, 6-[[(4-nitrophenyl)methyl]thio]-9-beta-d-ribofuranosyl-
  • nitrobenzylthioinosine
  • s-(4-nitrobenzyl)-6-thioinosine
InChIKey DYCJFJRCWPVDHY-LSCFUAHRSA-N
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