2-[(Z)-(4-Carboxy-2-Hydroxy-4-{(3R,4R)-3-[(4-Hydroxybenzoyl)Amino]-2,3,4,5-Tetrahydro-1H-Azepin-4-Yl}-6-Oxo-2-Cyclohexen-1-Ylidene)(Hydroxy)Methyl]-3-Hydroxybenzoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C28H26N2O10 |
| IUPAC Name | (1s,4z)-4-[(2-carboxy-6-hydroxy-phenyl)-hydroxy-methylene]-3-hydroxy-1-[(3r,4r)-3-[(4-hydroxybenzoyl)amino]-2,3,4,5-tetrahydro-1h-azepin-4-yl]-5-oxo-cyclohex-2-ene-1-carboxylic acid |
| Molecular Mass | 550.513 g·mol−1 |
| Heat of Formation | -1486.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.93 ± 1.08 D |
| Volume | 613.27 Å 3 |
| Surface Area | 477.7 Å 2 |
| HOMO Energy | -8.39 ± 0.55 eV |
| LUMO Energy | 1.87 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AAHDJEGSJGYRGS-YRRARWJRSA-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 |