(1S)-1,5-Anhydro-1-(7-Carboxy-1,3,4,6-Tetrahydroxy-8-Methyl-9,10-Dioxo-9,10-Dihydro-2-Anthracenyl)-D-Iditol
Properties
| Property | Value |
|---|---|
| Formula | C22H20O13 |
| IUPAC Name | 3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[(2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]anthracene-2-carboxylic acid |
| Molecular Mass | 492.386 g·mol−1 |
| Heat of Formation | -2169.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.67 ± 1.08 D |
| Volume | 493.06 Å 3 |
| Surface Area | 409.02 Å 2 |
| HOMO Energy | -9.43 ± 0.55 eV |
| LUMO Energy | -2.12 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DGQLVPJVXFOQEV-UPSALTQBSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |