8-Azido-5'-O-({[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphinato)-2',3'-O-(2,3,5-Trinitro-2,4-Cyclohexadiene-1,1-Diyl)Adenosine
Properties
| Property | Value |
|---|---|
| Formula | C16H16N11O19P3 |
| IUPAC Name | [[(2r,3ar,4r,6r,6ar)-4-(6-amino-8-azido-purin-9-yl)-1',2',4'-trinitro-spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methoxy-hydroxy-phosphoryl] dihydroxyphosphoryl hydrogen phosphate |
| Molecular Mass | 759.282 g·mol−1 |
| Heat of Formation | -855.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 12.97 ± 1.08 D |
| Volume | 643.96 Å 3 |
| Surface Area | 502.03 Å 2 |
| HOMO Energy | -9.20 ± 0.55 eV |
| LUMO Energy | -3.73 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IWTOZZJRQNAEHP-OZRHMMHVSA-M |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C O N |