9-(6-Deoxy-6,6-Difluoro-5-Thio-β-D-Allofuranosyl)-9H-Purin-6-Amine
Properties
| Property | Value |
|---|---|
| Formula | C11H13F2N5O3S |
| IUPAC Name | (2r,3r,4s,5s)-2-(6-aminopurine-1,3,7-triium-9-yl)-5-[(1s)-2,2-difluoro-1-sulfanyl-ethyl]tetrahydrofuran-3,4-diol |
| Molecular Mass | 333.314 g·mol−1 |
| Heat of Formation | -691.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.77 ± 1.08 D |
| Volume | 340.35 Å 3 |
| Surface Area | 282.63 Å 2 |
| HOMO Energy | -8.96 ± 0.55 eV |
| LUMO Energy | -0.68 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QZHQGSPDUXGGIV-KLLMMOBBSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C F H O N S |