3-{4-[2-(β-D-Glucopyranosyloxy)Ethyl]-1-Piperazinyl}-1-Propanesulfonic Acid
Properties
| Property | Value |
|---|---|
| Formula | C15H30N2O9S |
| IUPAC Name | 3-[4-[2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyethyl]piperazin-1-yl]propane-1-sulfonic acid |
| Molecular Mass | 414.472 g·mol−1 |
| Heat of Formation | -1635.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.30 ± 1.08 D |
| Volume | 477.27 Å 3 |
| Surface Area | 417.18 Å 2 |
| HOMO Energy | -9.12 ± 0.55 eV |
| LUMO Energy | 0.53 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DAJNLGJHGLHERP-UXXRCYHCSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |