2-Benzoyl-1,3,8,10-Tetrahydroxy-9-(4-Methoxy-2-Oxo-2H-Pyran-6-Yl)-5-Oxatricyclo[4.3.1.0~3,8~]Decan-4-One
Properties
| Property | Value |
|---|---|
| Formula | C22H20O10 |
| IUPAC Name | (1s,2s,3s,6r,8r,9s,10r)-2-benzoyl-1,3,8,10-tetrahydroxy-9-(4-methoxy-6-oxo-pyran-2-yl)-5-oxatricyclo[4.3.1.03,8]decan-4-one |
| Molecular Mass | 444.388 g·mol−1 |
| Heat of Formation | -1501.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.49 ± 1.08 D |
| Volume | 466.29 Å 3 |
| Surface Area | 376.26 Å 2 |
| HOMO Energy | -9.83 ± 0.55 eV |
| LUMO Energy | -0.80 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CTBBEXWJRAPJIZ-VHPBLNRZSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |