(2R,3S,4S,5S)-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 C17H17N5O6S
IUPAC Name (2r,3s,4s,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 -336.4 ± 16.7 kJ·mol−1
Dipole Moment 5.64 ± 1.08 D
Volume 447.87 Å 3
Surface Area 398.83 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -1.86 ± eV
Point Group Symmetry C1
InChIKey JJMCATSHYOVECT-WVZRYYJFSA-O
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