1-O-{2-[4-(2-Thienylcarbonyl)Phenyl]Propanoyl}-β-D-Glucopyranuronic Acid
Properties
| Property | Value |
|---|---|
| Formula | C20H20O9S |
| IUPAC Name | (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(2r)-2-[4-(thiophene-2-carbonyl)phenyl]propanoyl]oxy-tetrahydropyran-2-carboxylic acid |
| Molecular Mass | 436.432 g·mol−1 |
| Heat of Formation | -1388.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.41 ± 1.08 D |
| Volume | 481.06 Å 3 |
| Surface Area | 416.19 Å 2 |
| HOMO Energy | -9.20 ± 0.55 eV |
| LUMO Energy | 1.98 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KXXLFSMVJNYZFS-HBDUBGCQSA-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 |