9-{5-O-[Hydroxy(Phosphonooxy)Phosphoryl]-2,3-O-(2,4,6-Trinitro-2,4-Cyclohexadiene-1,1-Diyl)-β-D-Glycero-Pentofuranosyl}-9H-Purin-6-Amine
Properties
| Property | Value |
|---|---|
| Formula | C16H15N8O16P2- |
| IUPAC Name | 9-{5-o-[hydroxy(phosphonooxy)phosphoryl]-2,3-o-(2,4,6-trinitro-2,4-cyclohexadiene-1,1-diyl)-β-d-glycero-pentofuranosyl}-9h-purin-6-amine |
| Molecular Mass | 637.282 g·mol−1 |
| Heat of Formation | -147.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 13.26 ± 1.08 D |
| Volume | 563.67 Å 3 |
| Surface Area | 452.68 Å 2 |
| HOMO Energy | -9.93 ± 0.55 eV |
| LUMO Energy | -3.84 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WYOHYTDXVJMKHS-BULSIJKSSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C O N |