Methyl (3E,4S)-3-Ethylidene-2-{[6-O-(β-D-Glucopyranosyl)-β-D-Glucopyranosyl]Oxy}-4-{2-[2-(4-Hydroxyphenyl)Ethoxy]-2-Oxoethyl}-3,4-Dihydro-2H-Pyran-5-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C31H42O17 |
| IUPAC Name | methyl (5e)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxo-ethyl]-6-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-4h-pyran-3-carboxylate |
| Molecular Mass | 686.655 g·mol−1 |
| Heat of Formation | -2960.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.60 ± 1.08 D |
| Volume | 757.2 Å 3 |
| Surface Area | 493.88 Å 2 |
| HOMO Energy | -9.26 ± 0.55 eV |
| LUMO Energy | -0.50 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | FVQYDVAAZIXQID-KQOHBANFSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |