(1E,2S)-1-{(2E)-2-[(2S)-2,6-Dicarboxy-2,3-Dihydro-4(1H)-Pyridinylidene]Ethylidene}-5-(β-D-Glucopyranosyloxy)-6-Hydroxy-2,3-Dihydro-1H-Indolium-2-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C24H26N2O13 |
| IUPAC Name | (1e,2s)-1-[(2z)-2-[(2s)-2,6-dicarboxy-2,3-dihydro-1h-pyridin-4-ylidene]ethylidene]-6-hydroxy-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-indolin-1-ium-2-carboxylate |
| Molecular Mass | 550.469 g·mol−1 |
| Heat of Formation | -1983.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.81 ± 1.08 D |
| Volume | 622.17 Å 3 |
| Surface Area | 505.96 Å 2 |
| HOMO Energy | -7.50 ± 0.55 eV |
| LUMO Energy | -1.30 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DHHFDKNIEVKVKS-FMOSSLLZSA-N |
| QR Code | Generate QR Code |
| Links | PubChem Wikipedia ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |