(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
Properties
Property | Value |
---|---|
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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Elements | H S C O N |