N-[(2E)-3-{(2R,3S,4R,5R)-3,4-Dihydroxy-5-[4-(Trifluoromethyl)-1H-Imidazol-1-Yl]Tetrahydro-2-Furanyl}-2-Propen-1-Yl]-2,3-Dihydroxy-5-Nitrobenzamide
Properties
| Property | Value |
|---|---|
| Formula | C18H17F3N4O8 |
| IUPAC Name | n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-[5-(trifluoromethyl)-4h-imidazol-1-ium-4-id-3-yl]tetrahydrofuran-2-yl]allyl]-2,3-dihydroxy-5-nitro-benzamide |
| Molecular Mass | 474.345 g·mol−1 |
| Heat of Formation | -1484.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.21 ± 1.08 D |
| Volume | 488.61 Å 3 |
| Surface Area | 374.94 Å 2 |
| HOMO Energy | -9.47 ± 0.55 eV |
| LUMO Energy | 1.72 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VZQNYKXXPHSQLJ-LWULHLCXSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O F |