9-(6-Deoxy-β-D-Allofuranosyl)-9H-Purine-6-Thiol
Properties
| Property | Value |
|---|---|
| Formula | C11H14N4O4S |
| IUPAC Name | 9-[(2s,3s,4s,5r)-3,4-dihydroxy-5-[(1s)-1-hydroxyethyl]tetrahydrofuran-2-yl]-3h-purine-6-thione |
| Molecular Mass | 298.318 g·mol−1 |
| Heat of Formation | -420.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 10.67 ± 1.08 D |
| Volume | 323.57 Å 3 |
| Surface Area | 282.55 Å 2 |
| HOMO Energy | -8.11 ± 0.55 eV |
| LUMO Energy | 1.88 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LMTPULIBTJWSQT-PVRNJEFGSA-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 |