(1S,1'R)-4,4'-Dimethyl-1,1',3,3'-Tetrahydro-1,1'-Bi-2-Benzofuran-3,5,5',6,6',7,7'-Heptol
Properties
| Property | Value |
|---|---|
| Formula | C18H18O9 |
| IUPAC Name | (1r,3s)-7-methyl-3-[(1r)-5,6,7-trihydroxy-4-methyl-1,3-dihydroisobenzofuran-1-yl]-1,3-dihydroisobenzofuran-1,4,5,6-tetrol |
| Molecular Mass | 378.330 g·mol−1 |
| Heat of Formation | -1452.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.29 ± 1.08 D |
| Volume | 395.54 Å 3 |
| Surface Area | 336.65 Å 2 |
| HOMO Energy | -8.70 ± 0.55 eV |
| LUMO Energy | -0.28 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VJXHTAZAWHMKML-FGTMMUONSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |