3-O-(6-Deoxy-α-D-Mannopyranosyl)-4-O-[(2E)-3-(3,4-Dihydroxyphenyl)-2-Propenoyl]-Beta-D-Glucopyranose
Properties
| Property | Value |
|---|---|
| Formula | C21H28O13 |
| IUPAC Name | [(2r,3r,4r,5r,6r)-5,6-dihydroxy-2-(hydroxymethyl)-4-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| Molecular Mass | 488.439 g·mol−1 |
| Heat of Formation | -2244.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.63 ± 1.08 D |
| Volume | 540.17 Å 3 |
| Surface Area | 448.23 Å 2 |
| HOMO Energy | -9.27 ± 0.55 eV |
| LUMO Energy | -1.38 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IDVRYIVYDAOHSS-CRADLMAESA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |