2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-4-Oxo-4H-Chromen-3-Yl β-D-Threo-Hexopyranosiduronic Acid
Properties
| Property | Value |
|---|---|
| Formula | C21H18O13 |
| IUPAC Name | (2s,3s,4r,5s,6s)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-chromen-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid |
| Molecular Mass | 478.360 g·mol−1 |
| Heat of Formation | -2050.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.26 ± 1.08 D |
| Volume | 481.91 Å 3 |
| Surface Area | 381.12 Å 2 |
| HOMO Energy | -9.04 ± 0.55 eV |
| LUMO Energy | -1.48 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DUBCCGAQYVUYEU-VFKUPZNOSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |