1-(2-Allyl-4-Hydroxyphenoxy)-3-(Isopropylamino)-2-Propanyl β-D-Glucopyranosiduronic Acid
Properties
| Property | Value |
|---|---|
| Formula | C21H31NO9 |
| IUPAC Name | (2s,3s,4s,5r,6r)-6-[(1r)-1-[(2-allyl-4-hydroxy-phenoxy)methyl]-2-(isopropylamino)ethoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid |
| Molecular Mass | 441.472 g·mol−1 |
| Heat of Formation | -1543.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.07 ± 1.08 D |
| Volume | 534.34 Å 3 |
| Surface Area | 400.38 Å 2 |
| HOMO Energy | -8.75 ± 0.55 eV |
| LUMO Energy | -0.00 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OTYUUJKEJXUHTG-YPHSQDEMSA-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 |