494211-79-9
| Name | 3-Dehydroquinic acid potassium salt, (1R,3R,4S)-1,3,4-Trihydroxy-5-oxocyclohexanecarboxylic acid potassium salt |
| CAS | 494211-79-9 |
| Molecular Formula | C7H9O6.K |
| MDL Number | MFCD11045271 |
| Molecular Weight | 228.24 |
| MOL File | 494211-79-9.mol |
Chemical Properties
| storage temp. | 2-8°C |
| form | powder |
| Optical Rotation | [α]/D -48.0±4.0°, c = 1.5 in H2O |
| InChI | 1S/C7H10O6.K/c8-3-1-7(13,6(11)12)2-4(9)5(3)10;/h3,5,8,10,13H,1-2H2,(H,11,12);/q;+1/p-1/t3-,5+,7-;/m1./s1 |
| InChIKey | XOXNBNMEMILWBJ-HOMRGJANSA-M |
| SMILES | [K+].O[C@@H]1C[C@@](O)(CC(=O)[C@H]1O)C([O-])=O |
Safety Data
| Hazard Codes | T |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2811 6.1 / PGIII |
| WGK Germany | 3 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral |