2,5-Dihydroxy-2-Methyl-4-Oxo-3,4-Dihydro-2H-Chromen-7-Yl 6-O-{[(4S)-4-(2-Hydroxy-2-Propanyl)-1-Cyclohexen-1-Yl]Carbonyl}-β-D-Glucopyranoside
Properties
| Property | Value |
|---|---|
| Formula | C26H34O12 |
| IUPAC Name | [(2r,3s,4s,5r,6s)-6-[(2r)-2,5-dihydroxy-2-methyl-4-oxo-chroman-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl (4r)-4-(1-hydroxy-1-methyl-ethyl)cyclohexene-1-carboxylate |
| Molecular Mass | 538.541 g·mol−1 |
| Heat of Formation | -2260.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.44 ± 1.08 D |
| Volume | 601.68 Å 3 |
| Surface Area | 426.55 Å 2 |
| HOMO Energy | -9.30 ± 0.55 eV |
| LUMO Energy | 2.53 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BNOXWGIIFHBMQJ-FLTFIKDXSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |