[(3R,4R,5R)-2-(6-Amino-8-Azido-Purin-9-Yl)-5-Methyl-4-(2,4,6-Trinitrophenoxy)Tetrahydrofuran-3-Yl]Oxy Dihydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C16H14N11O13P |
| IUPAC Name | [(2r,3r,4r,5r)-2-(6-amino-8-azido-purine-1,3,7-triium-9-yl)-5-methyl-4-(2,4,6-trinitrophenoxy)tetrahydrofuran-3-yl]oxy dihydrogen phosphate |
| Molecular Mass | 599.322 g·mol−1 |
| Heat of Formation | 880.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 15.55 ± 1.08 D |
| Volume | 538.95 Å 3 |
| Surface Area | 453.4 Å 2 |
| HOMO Energy | -8.65 ± 0.55 eV |
| LUMO Energy | -3.42 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RJGMYABIKPHMAI-OUSFCYJCSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C O N |