1-(2-Allylphenoxy)-3-(Isopropylamino)-2-Propanyl β-D-Glucopyranosiduronic Acid
Properties
| Property | Value |
|---|---|
| Formula | C21H31NO8 |
| IUPAC Name | (2s,3s,4s,5r,6r)-6-[(1s)-1-[(2-allylphenoxy)methyl]-2-(1-methylethylamino)ethoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid |
| Molecular Mass | 425.473 g·mol−1 |
| Heat of Formation | -1379.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.54 ± 1.08 D |
| Volume | 509.15 Å 3 |
| Surface Area | 377.83 Å 2 |
| HOMO Energy | -9.06 ± 0.55 eV |
| LUMO Energy | -0.04 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BALXTVIXZJOBOI-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 |