(4S,5S,6R)-4,5,6-Trihydroxy-2-(Hydroxymethyl)-2-Cyclohexen-1-One
Properties
| Property | Value |
|---|---|
| Formula | C7H10O5 |
| IUPAC Name | (4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxy(113c)methyl)(1,2,3,5-13c4)cyclohex-2-en-1-one |
| Molecular Mass | 179.115 g·mol−1 |
| Heat of Formation | -836.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 0.81 ± 1.08 D |
| Volume | 193.82 Å 3 |
| Surface Area | 185.03 Å 2 |
| HOMO Energy | -10.49 ± 0.55 eV |
| LUMO Energy | -0.99 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DEJZWTDEKQRWLD-PRMYIZFSSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |