2-(3,4-Dihydroxyphenyl)-5-Hydroxy-4-Oxo-4H-Chromen-7-Yl α-L-Erythro-Hexopyranosiduronic Acid
Properties
| Property | Value |
|---|---|
| Formula | C21H18O12 |
| IUPAC Name | 4-[7-[(2r,3r,4s,5s,6s)-6-carboxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-5-hydroxy-4-oxo-chromen-2-yl]benzene-6-ide-1,2-diolate |
| Molecular Mass | 462.360 g·mol−1 |
| Heat of Formation | -1853.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.83 ± 1.08 D |
| Volume | 477.36 Å 3 |
| Surface Area | 411.77 Å 2 |
| HOMO Energy | -9.13 ± 0.55 eV |
| LUMO Energy | -0.90 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VSUOKLTVXQRUSG-UNJWAJPSSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |