(2S)-1-{(E)-2-[(2S)-2,6-Dicarboxy-2,3-Dihydro-4-Pyridiniumyl]Vinyl}-6-(β-D-Glucopyranosyloxy)-5-Hydroxy-2-Indolinecarboxylate
Properties
| Property | Value |
|---|---|
| Formula | C24H26N2O13 |
| IUPAC Name | (2s)-4-[(e)-2-[(2s)-2-carboxy-5-hydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-indolin-1-yl]vinyl]-2,3-dihydropyridine-2,6-dicarboxylic acid |
| Molecular Mass | 550.469 g·mol−1 |
| Heat of Formation | -2056.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.65 ± 1.08 D |
| Volume | 596.86 Å 3 |
| Surface Area | 482.65 Å 2 |
| HOMO Energy | -8.28 ± 0.55 eV |
| LUMO Energy | 2.08 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IKCBLEDGTPAJDE-FTNGGYTGSA-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 |