(1S)-1,5-Anhydro-1-[2-(3,4-Dihydroxyphenyl)-5-Hydroxy-7-Oxido-4-Oxo-4H-Chromen-6-Yl]-D-Glucitol
Properties
| Property | Value |
|---|---|
| Formula | C21H19O11- |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-5-olate |
| Molecular Mass | 447.369 g·mol−1 |
| Heat of Formation | 52.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.64 ± 1.08 D |
| Volume | 363.7 Å 3 |
| Surface Area | 323.74 Å 2 |
| HOMO Energy | -10.21 ± 0.55 eV |
| LUMO Energy | -2.79 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ODBRNZZJSYPIDI-VJXVFPJBSA-M |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C O |