7-{(3S)-2-Hydroperoxy-4-Methoxy-3-[(Methoxycarbonyl)Amino]-4-Oxobutyl}-4,6-Dimethyl-3-(β-D-Ribofuranosyl)-3,4-Dihydro-9H-Imidazo[1,2-A]Purin-9-One
Properties
| Property | Value |
|---|---|
| Formula | C21H28N6O11 |
| IUPAC Name | methyl (2r,3r)-4-[3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4,6-dimethyl-9-oxo-imidazo[1,2-a]purine-1,5-diium-3a,7-diid-7-yl]-3-hydroperoxy-2-(methoxycarbonylamino)butanoate |
| Molecular Mass | 540.481 g·mol−1 |
| Heat of Formation | 1047.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 20.87 ± 1.08 D |
| Volume | 524.68 Å 3 |
| Surface Area | 425.91 Å 2 |
| HOMO Energy | -8.29 ± 0.55 eV |
| LUMO Energy | -3.81 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WCNMEQDMUYVWMJ-NTLIOOHXSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C O N |