3,4-Dihydro-6,8-Dihydroxy-3-(4-Hydroxy-6-Methyltetrahydropyran-2-Ylmethyl)Isocoumarin
Properties
| Property | Value |
|---|---|
| Formula | C16H20O6 |
| IUPAC Name | (3s)-6,8-dihydroxy-3-[[(2r,4s,6r)-4-hydroxy-6-methyl-tetrahydropyran-2-yl]methyl]isochroman-1-one |
| Molecular Mass | 308.326 g·mol−1 |
| Heat of Formation | -1129.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.57 ± 1.08 D |
| Volume | 354.96 Å 3 |
| Surface Area | 310.47 Å 2 |
| HOMO Energy | -9.75 ± 0.55 eV |
| LUMO Energy | -0.70 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BGBCTXXTDYWYHE-PIEOMLNGSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |