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 | C16H16N8O16P2 |
| IUPAC Name | [(2r,3ar,4r,5's,6r,6ar)-4-(6-aminopurine-1,3,7-triium-9-yl)-1',3',5'-trinitro-spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methyl phosphono hydrogen phosphate |
| Molecular Mass | 638.290 g·mol−1 |
| Heat of Formation | -1978.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.92 ± 1.08 D |
| Volume | 607.32 Å 3 |
| Surface Area | 481.6 Å 2 |
| HOMO Energy | -9.38 ± 0.55 eV |
| LUMO Energy | -2.62 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WYOHYTDXVJMKHS-BENPRDFYSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |