(2E,4E,6E)-8-[(N-Acetyl-β-Methylphenylalanyl)Oxy]-8-(2-Methyl-2-Oxiranyl)-2,4,6-Octatrienoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C23H27NO6 |
| IUPAC Name | (2e,4z,6e,8r)-8-[(2s,3r)-2-acetamido-3-phenyl-butanoyl]oxy-8-[(2s)-2-methyloxiran-2-yl]octa-2,4,6-trienoic acid |
| Molecular Mass | 413.464 g·mol−1 |
| Heat of Formation | -819.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.56 ± 1.08 D |
| Volume | 519.92 Å 3 |
| Surface Area | 394.38 Å 2 |
| HOMO Energy | -9.49 ± 0.55 eV |
| LUMO Energy | -0.97 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HGSOUJPIFSDBKJ-AOEVYJQESA-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 |