1-O-[2-(3-Benzoylphenyl)Propanoyl]Hexopyranuronic Acid
Properties
| Property | Value |
|---|---|
| Formula | C22H22O9 |
| IUPAC Name | (2s,3s,4r,5s,6s)-6-[(2r)-2-(3-benzoylphenyl)propanoyl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid |
| Molecular Mass | 430.405 g·mol−1 |
| Heat of Formation | -1423.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.96 ± 1.08 D |
| Volume | 489.41 Å 3 |
| Surface Area | 388.26 Å 2 |
| HOMO Energy | -9.99 ± 0.55 eV |
| LUMO Energy | -0.70 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PBTXSZZKPHBHMA-BKPADBBOSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |