5'-O-[{[(2-Cyanoethoxy)(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphorothioyl]Adenosine
Properties
| Property | Value |
|---|---|
| Formula | C13H18N6O9P2S |
| IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphinothioyl] 2-cyanoethyl hydrogen phosphate |
| Molecular Mass | 496.329 g·mol−1 |
| Heat of Formation | -106.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.92 ± 1.08 D |
| Volume | 475.56 Å 3 |
| Surface Area | 379.69 Å 2 |
| HOMO Energy | -9.17 ± 0.55 eV |
| LUMO Energy | -3.71 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JOYCYBBHTRKFTI-FZFRWUDNSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P S C O N |