Aloin B
Properties
| Property | Value |
|---|---|
| Formula | C21H22O9 |
| IUPAC Name | (10s)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-10h-anthracen-9-one |
| Molecular Mass | 418.394 g·mol−1 |
| Heat of Formation | -1508.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.81 ± 1.08 D |
| Volume | 449.37 Å 3 |
| Surface Area | 348.23 Å 2 |
| HOMO Energy | -9.24 ± 0.55 eV |
| LUMO Energy | -0.98 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AFHJQYHRLPMKHU-RVVYYDBMSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |