6-[(2-Hydroxy-5-Nitrobenzyl)Sulfanyl]-9-Pentofuranosyl-9H-Purin-2-Amine
Properties
| Property | Value |
|---|---|
| Formula | C17H18N6O7S |
| IUPAC Name | (2r,3r,4s,5r)-2-[2-amino-6-[(2-hydroxy-5-nitro-phenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol |
| Molecular Mass | 450.426 g·mol−1 |
| Heat of Formation | -588.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.66 ± 1.08 D |
| Volume | 475.27 Å 3 |
| Surface Area | 404.27 Å 2 |
| HOMO Energy | -9.02 ± 0.55 eV |
| LUMO Energy | -1.22 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JXIKYSYYTDTHBG-KBNOKHGBSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |