[[(2R,3S,4R,5R)-5-(6-Amino-2-Fluoro-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-(3-Carbamoylpyridin-1-Ium-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C21H26FN7O14P2 |
| IUPAC Name | [[(2r,3s,4r,5r)-5-(6-amino-2-fluoro-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate |
| Molecular Mass | 681.416 g·mol−1 |
| Heat of Formation | -333.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 13.72 ± 1.08 D |
| Volume | 611.89 Å 3 |
| Surface Area | 443.57 Å 2 |
| HOMO Energy | -8.55 ± 0.55 eV |
| LUMO Energy | -3.20 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JDJGJQAJEVFTBI-NAJQWHGHSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C F O N |