Methyl (2R,3Z,4S)-4-{2-[2-(3,4-Dihydroxyphenyl)Ethoxy]-2-Oxoethyl}-3-Ethylidene-2-(β-D-Glucopyranosyloxy)-3,4-Dihydro-2H-Pyran-5-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C25H32O13 |
| IUPAC Name | methyl (4s,5z,6r)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxo-ethyl]-5-ethylidene-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4h-pyran-3-carboxylate |
| Molecular Mass | 540.514 g·mol−1 |
| Heat of Formation | -2263.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.07 ± 1.08 D |
| Volume | 609.97 Å 3 |
| Surface Area | 455.24 Å 2 |
| HOMO Energy | -8.80 ± 0.55 eV |
| LUMO Energy | 2.81 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RFWGABANNQMHMZ-AGKURNLASA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |