(2R,3S,4R,5R)-2-(Hydroxymethyl)-5-[6-[(4-Nitrophenyl)Methylsulfanyl]Purine-1,3,7-Triium-9-Yl]Tetrahydrofuran-3,4-Diol
Properties
| Property | Value |
|---|---|
| Formula | C17H17N5O6S |
| IUPAC Name | (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-[(4-nitrophenyl)methylsulfanyl]purine-1,3,7-triium-9-yl]tetrahydrofuran-3,4-diol |
| Molecular Mass | 419.412 g·mol−1 |
| Heat of Formation | -369.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.12 ± 1.08 D |
| Volume | 447.81 Å 3 |
| Surface Area | 392.27 Å 2 |
| HOMO Energy | -9.16 ± 0.55 eV |
| LUMO Energy | 1.47 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XGTVEFZNTWLXOS-LSCFUAHRSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |