1-{[2-(1-Hydroxyethyl)-1-Benzofuran-7-Yl]Oxy}-3-(Isopropylamino)-2-Propanyl β-D-Glucopyranosiduronic Acid
Properties
| Property | Value |
|---|---|
| Formula | C22H31NO10 |
| IUPAC Name | (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[(1s)-1-[[2-[(1r)-1-hydroxyethyl]benzofuran-7-yl]oxymethyl]-2-(isopropylamino)ethoxy]tetrahydropyran-2-carboxylic acid |
| Molecular Mass | 469.482 g·mol−1 |
| Heat of Formation | -1649.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.89 ± 1.08 D |
| Volume | 542.7 Å 3 |
| Surface Area | 434.74 Å 2 |
| HOMO Energy | -9.00 ± 0.55 eV |
| LUMO Energy | -0.50 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WEOVSIBZCGHNQQ-YMZYRUEXSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |