(2S,3S)-7-{(1E)-3-[(1R)-1-Carboxy-2-(3,4-Dihydroxyphenyl)Ethoxy]-3-Oxo-1-Propen-1-Yl}-3-(3,4-Dihydroxyphenyl)-2,3-Dihydro-1,4-Benzodioxine-2-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C27H22O12 |
| IUPAC Name | (2s,3s)-6-[(e)-3-[(1r)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-prop-1-enyl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid |
| Molecular Mass | 538.456 g·mol−1 |
| Heat of Formation | -1736.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.74 ± 1.08 D |
| Volume | 586.3 Å 3 |
| Surface Area | 501.8 Å 2 |
| HOMO Energy | -8.77 ± 0.55 eV |
| LUMO Energy | 2.05 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KPKHMGUZUPELJC-RXYMDKBQSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |