96401
3-Dehydroquinic acid potassium salt
≥97.0% (TLC)
Synonym(s):
(1R,3R,4S)-1,3,4-Trihydroxy-5-oxocyclohexanecarboxylic acid potassium salt, 5-Dehydroquinic acid potassium salt
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About This Item
Empirical Formula (Hill Notation):
C7H9KO6
CAS Number:
Molecular Weight:
228.24
NACRES:
NA.32
PubChem Substance ID:
UNSPSC Code:
12352204
MDL number:
Quality Segment
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
Biochem/physiol Actions
Metabolic intermediate in the shikimate pathway; metabolite standard
Metabolite of the shikimate pathway, which is required for the synthesis of aromatic compounds in microorganismsand plants.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral
Storage Class
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
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