3-{[2-Carboxy-1-(1H-Imidazol-5-Yl)Ethyl]Sulfanyl}-2-Hydroxypropanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C9H12N2O5S |
| IUPAC Name | (3s)-3-[(2r)-2-carboxy-2-hydroxy-ethyl]sulfanyl-3-imidazol-3-ium-4-ylium-4-yl-propanoic acid |
| Molecular Mass | 260.267 g·mol−1 |
| Heat of Formation | -831.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.10 ± 1.08 D |
| Volume | 283.34 Å 3 |
| Surface Area | 260.6 Å 2 |
| HOMO Energy | -9.03 ± 0.55 eV |
| LUMO Energy | -0.43 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SRMWPLGMMNSTOE-BQBZGAKWSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |