5-{(E)-2-[(2S,3R,4S)-5-Carboxy-2-(β-D-Glucopyranosyloxy)-3-Vinyl-3,4-Dihydro-2H-Pyran-4-Yl]Vinyl}-1-(2-Hydroxyethyl)-3-Pyridiniumcarboxylate
Properties
| Property | Value |
|---|---|
| Formula | C24H29NO12 |
| IUPAC Name | 5-[(e)-2-[(2s,3r,4s)-5-carboxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-vinyl-3,4-dihydro-2h-pyran-4-yl]vinyl]-1-(2-hydroxyethyl)pyridin-1-ium-3-carboxylate |
| Molecular Mass | 523.487 g·mol−1 |
| Heat of Formation | -1804.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 18.50 ± 1.08 D |
| Volume | 595.22 Å 3 |
| Surface Area | 467.62 Å 2 |
| HOMO Energy | -8.77 ± 0.55 eV |
| LUMO Energy | -1.79 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DXFHNEGQVDLRDO-KBCYOOEFSA-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 |