2-{4-[2-(β-D-Glucopyranosyloxy)Ethyl]-1-Piperazinyl}Ethanesulfonic Acid
Properties
| Property | Value |
|---|---|
| Formula | C14H28N2O9S |
| IUPAC Name | 2-[4-[2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyethyl]piperazin-1-yl]ethanesulfonic acid |
| Molecular Mass | 400.445 g·mol−1 |
| Heat of Formation | -1642.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.97 ± 1.08 D |
| Volume | 447.51 Å 3 |
| Surface Area | 380.05 Å 2 |
| HOMO Energy | -9.43 ± 0.55 eV |
| LUMO Energy | 3.52 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RRNQQJMHWBFGHX-RKQHYHRCSA-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 |