3-[4-(2,6-Dioxo-1,3-Dipropyl-2,3,6,7-Tetrahydro-1H-Purin-8-Yl)Bicyclo[2.2.2]Oct-1-Yl]Propanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C22H32N4O4 |
| IUPAC Name | 3-[4-(2,6-dioxo-1,3-dipropyl-9h-purin-7-ium-4-id-8-yl)-1-bicyclo[2.2.2]octanyl]propanoic acid |
| Molecular Mass | 416.514 g·mol−1 |
| Heat of Formation | 3653.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 50.56 ± 1.08 D |
| Volume | 434.64 Å 3 |
| Surface Area | 398.83 Å 2 |
| HOMO Energy | -7.64 ± 0.55 eV |
| LUMO Energy | -4.55 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZWTVVWUOTJRXKM-HZCBDIJESA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C O N |