(2S,3S,4R,5R)-2-(2-Aminoethylsulfanylmethyl)-5-[6-[(4-Nitrophenyl)Methylamino]Purine-1,3,7-Triium-9-Yl]Tetrahydrofuran-3,4-Diol
Properties
| Property | Value |
|---|---|
| Formula | C19H23N7O5S |
| IUPAC Name | (2s,3s,4r,5r)-2-(2-aminoethylsulfanylmethyl)-5-[6-[(4-nitrophenyl)methylamino]purine-1,3,7-triium-9-yl]tetrahydrofuran-3,4-diol |
| Molecular Mass | 461.495 g·mol−1 |
| Heat of Formation | -180.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.92 ± 1.08 D |
| Volume | 514.05 Å 3 |
| Surface Area | 448.04 Å 2 |
| HOMO Energy | -8.80 ± 0.55 eV |
| LUMO Energy | 1.39 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UBRIBCWTPGTWMI-NVQRDWNXSA-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 |