(2S,3R,6S,7R,8S)-3-[(3-Formamido-2-Hydroxybenzoyl)Amino]-8-Hexyl-2,6-Dimethyl-4,9-Dioxo-1,5-Dioxonan-7-Yl 3-Methylbutanoate
Properties
| Property | Value |
|---|---|
| Formula | C28H40N2O9 |
| IUPAC Name | [(2s,3s,6r,7r,8r)-3-[(3-formamido-2-hydroxy-benzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate |
| Molecular Mass | 548.625 g·mol−1 |
| Heat of Formation | -1799.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.01 ± 1.08 D |
| Volume | 675.97 Å 3 |
| Surface Area | 514.4 Å 2 |
| HOMO Energy | -8.86 ± 0.55 eV |
| LUMO Energy | -0.41 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UIFFUZWRFRDZJC-VVPLWGBKSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |