(2S,3S,4S,5R)-2-[2-Amino-6-[(4-Nitrophenyl)Methylsulfanyl]Purine-1,3,7-Triium-9-Yl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol
Properties
| Property | Value |
|---|---|
| Formula | C17H18N6O6S |
| IUPAC Name | (2s,3s,4s,5r)-2-[2-amino-6-[(4-nitrophenyl)methylsulfanyl]purine-1,3,7-triium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol |
| Molecular Mass | 434.426 g·mol−1 |
| Heat of Formation | -410.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.95 ± 1.08 D |
| Volume | 464.94 Å 3 |
| Surface Area | 407.07 Å 2 |
| HOMO Energy | -8.98 ± 0.55 eV |
| LUMO Energy | 1.57 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ISWUXALGZCSJMW-KBNOKHGBSA-O |
| QR Code | Generate QR Code |
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| Elements | H S C O N |