5-(5,7-Dihydroxy-4-Oxo-4H-Chromen-2-Yl)-2-Hydroxyphenyl α-L-Erythro-Hexopyranosiduronic Acid
Properties
| Property | Value |
|---|---|
| Formula | C21H18O12 |
| IUPAC Name | (2s,3s,4s,5s,6s)-6-[5-(5,7-dihydroxy-4-oxo-chromen-2-yl)-2-hydroxy-phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid |
| Molecular Mass | 462.360 g·mol−1 |
| Heat of Formation | -1896.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.09 ± 1.08 D |
| Volume | 471.31 Å 3 |
| Surface Area | 401.02 Å 2 |
| HOMO Energy | -9.48 ± 0.55 eV |
| LUMO Energy | -1.10 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JDOFZOKGCYYUER-MFPFFRNPSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |