3-Hydroxy-2-(4-Hydroxybenzoyl)-5-Methoxyphenyl 6-O-Acetyl-β-D-Glucopyranoside
Properties
| Property | Value |
|---|---|
| Formula | C22H24O11 |
| IUPAC Name | 4-[2-[(2s,3r,4s,5s,6r)-6-(acetoxymethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-6-hydroxy-4-methoxy-benzoyl]benzene-6-id-1-olate |
| Molecular Mass | 464.419 g·mol−1 |
| Heat of Formation | -1783.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.15 ± 1.08 D |
| Volume | 524.14 Å 3 |
| Surface Area | 394.55 Å 2 |
| HOMO Energy | -9.26 ± 0.55 eV |
| LUMO Energy | -0.26 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NZOUTWVFWHDHBO-RECXWPGBSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |