96401

5-Dehydroquinic acid

≥97.0% (TLC)

• Sinonimo/i: (1R,3R,4S)-1,3,4-Trihydroxy-5-oxocyclohexanecarboxylic acid, 3-Dehydroquinic acid
• Formula empirica (notazione di Hill): C₇H₉KO₆
• Numero CAS: 494211-79-9
• Peso molecolare: 228.24
• NACRES: NA.32
• PubChem Substance ID: 329770504
• UNSPSC Code: 12352204
• MDL number: MFCD11045271

Proprietà

• Quality Segment: 100
• assay: ≥97.0% (TLC)
• form: powder
• optical activity: [α]/D -48.0±4.0°, c = 1.5 in H₂O
• storage temp.: 2-8°C
• SMILES string: [K+].O[C@@H]1C[C@@](O)(CC(=O)[C@H]1O)C([O-])=O
• 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
• InChI key: XOXNBNMEMILWBJ-HOMRGJANSA-M

Descrizione

Biochem/physiol Actions

Metabolic intermediate in the shikimate pathway[1][2]; metabolite standard[3]

Metabolite of the shikimate pathway, which is required for the synthesis of aromatic compounds in microorganismsand plants.

Informazioni sulla sicurezza

• pictograms: GHS06
• signalword: Danger
• hcodes: H301
• pcodes: P264 - P270 - P301 + P310 - P405 - P501
• Hazard Classifications: Acute Tox. 3 Oral
• Classe di stoccaggio: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable