1-Deoxy-1-{2,6,8-Trioxo-7-[3-(Phosphonooxy)Propyl]Octahydro-9H-Purin-9-Yl}-D-Ribitol
Properties
| Property | Value |
|---|---|
| Formula | C13H23N4O11P |
| IUPAC Name | 3-[2,6,8-trioxo-9-[(2r,3s,4r)-2,3,4,5-tetrahydroxypentyl]-3h-purine-4,5-diid-7-yl]propyl dihydrogen phosphate |
| Molecular Mass | 442.316 g·mol−1 |
| Heat of Formation | -2278.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.43 ± 1.08 D |
| Volume | 454.87 Å 3 |
| Surface Area | 405.43 Å 2 |
| HOMO Energy | -8.72 ± 0.55 eV |
| LUMO Energy | -0.56 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XCPJJCQVUDDRBM-LFBHSMIUSA-Q |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |