[(3Ar,4R,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-1,4-Diene]-6-Yl]Methyl Dihydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C16H17N8O13P |
| IUPAC Name | [(3ar,4r,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-1,4-diene]-6-yl]methyl dihydrogen phosphate |
| Molecular Mass | 560.326 g·mol−1 |
| Heat of Formation | -1090.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.68 ± 1.08 D |
| Volume | 529.93 Å 3 |
| Surface Area | 446.99 Å 2 |
| HOMO Energy | -9.04 ± 0.55 eV |
| LUMO Energy | -2.39 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WPNRAVQDLARUAN-RYYDPKJLSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |