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 |