(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

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Formula C17H18N5O6S
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 420.420 g·mol−1
Heat of Formation -316.5 ± 16.7 kJ·mol−1
Dipole Moment 5.13 ± 1.08 D
Volume 451.39 Å 3
Surface Area 396.55 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy 1.48 ± eV
Point Group Symmetry C1
InChIKey JJMCATSHYOVECT-VMUDFCTBSA-O
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