2-(3,4-Dihydroxyphenyl)-5-Hydroxy-4-Oxo-4H-Chromen-7-Yl 2-O-Sulfohexopyranoside
Properties
| Property | Value |
|---|---|
| Formula | C21H20O14S |
| IUPAC Name | 4-[7-[(2s,3r,4s,5s,6s)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfooxy-tetrahydropyran-2-yl]oxy-5-hydroxy-4-oxo-chromen-2-yl]benzene-3,5,6-triide-1,2-diolate |
| Molecular Mass | 528.440 g·mol−1 |
| Heat of Formation | -2217.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.22 ± 1.08 D |
| Volume | 534.44 Å 3 |
| Surface Area | 453.28 Å 2 |
| HOMO Energy | -9.23 ± 0.55 eV |
| LUMO Energy | -1.22 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RADMEXUHLCJBEW-JOZSIVFUSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O |