1-(3-Carboxypropyl)-5-{(E)-2-[(2S,3R,4S)-2-(β-D-Glucopyranosyloxy)-5-(Methoxycarbonyl)-3-Vinyl-3,4-Dihydro-2H-Pyran-4-Yl]Vinyl}-3-Pyridiniumcarboxylate
Properties
| Property | Value |
|---|---|
| Formula | C27H33NO13 |
| IUPAC Name | 1-(3-carboxypropyl)-5-[(e)-2-[(2s,3r,4s)-5-methoxycarbonyl-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]pyridin-1-ium-3-carboxylate |
| Molecular Mass | 579.550 g·mol−1 |
| Heat of Formation | -2032.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 14.98 ± 1.08 D |
| Volume | 665.86 Å 3 |
| Surface Area | 509.42 Å 2 |
| HOMO Energy | -8.90 ± 0.55 eV |
| LUMO Energy | -1.98 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DRYLFSKCXKHLKH-XBRJNPSZSA-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 |