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,5s)-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 -324.0 ± 16.7 kJ·mol−1
Dipole Moment 3.64 ± 1.08 D
Volume 448.45 Å 3
Surface Area 390.18 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy 1.44 ± eV
Point Group Symmetry C1
InChIKey NSHWXIMQXLHUQU-WVZRYYJFSA-N
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