(1S,3'R,4'S,5'S,6'R)-6-(4-Ethylbenzyl)-6'-(Hydroxymethyl)-3',4',5',6'-Tetrahydro-3H-Spiro[2-Benzofuran-1,2'-Pyran]-3',4',5'-Triol
Properties
| Property | Value |
|---|---|
| Formula | C22H26O6 |
| IUPAC Name | (3s,3'r,4's,5's,6'r)-5-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)spiro[1h-isobenzofuran-3,2'-tetrahydropyran]-3',4',5'-triol |
| Molecular Mass | 386.438 g·mol−1 |
| Heat of Formation | -989.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.57 ± 1.08 D |
| Volume | 460.87 Å 3 |
| Surface Area | 391.77 Å 2 |
| HOMO Energy | -9.30 ± 0.55 eV |
| LUMO Energy | -0.30 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VWVKUNOPTJGDOB-BDHVOXNPSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |