Methyl 4-(4,6-Dimethyl-9-Oxo-4,9-Dihydro-1H-Imidazo[1,2-A]Purin-7-Yl)-3-Hydroperoxy-2-[(Methoxycarbonyl)Amino]Butanoate
Properties
| Property | Value |
|---|---|
| Formula | C16H20N6O7 |
| IUPAC Name | methyl (2s,3r)-4-(4,6-dimethyl-9-oxo-1h-imidazo[1,2-a]purin-7-yl)-3-hydroperoxy-2-(methoxycarbonylamino)butanoate |
| Molecular Mass | 408.366 g·mol−1 |
| Heat of Formation | 1130.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 10.66 ± 1.08 D |
| Volume | 457.75 Å 3 |
| Surface Area | 401.47 Å 2 |
| HOMO Energy | -8.53 ± 0.55 eV |
| LUMO Energy | -2.59 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | FRYWGCQTDZARGT-ZJUUUORDSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C O N |