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CAS 77-95-2

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(-)-Quinic acid

Description:
(-)-Quinic acid, with the CAS number 77-95-2, is a naturally occurring bicyclic compound that belongs to the class of organic acids. It is a white crystalline solid that is soluble in water and exhibits a slightly acidic nature due to the presence of multiple hydroxyl groups and a carboxylic acid functional group. The compound is optically active, with the "(-)" designation indicating its specific rotation, which is a characteristic of its chiral structure. (-)-Quinic acid is commonly found in various plants, particularly in coffee and certain fruits, and plays a role in metabolic processes. It is known for its potential health benefits, including antioxidant properties and its involvement in the biosynthesis of other important compounds. Additionally, (-)-Quinic acid serves as a precursor in the synthesis of various pharmaceuticals and is studied for its applications in medicinal chemistry. Its structural features contribute to its reactivity and interactions in biological systems, making it a compound of interest in both natural product chemistry and pharmacology.
Formula:C7H12O6
InChI:InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5-,7+/m1/s1
InChI key:InChIKey=AAWZDTNXLSGCEK-WYWMIBKRSA-N
SMILES:C(O)(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](O)C1
Synonyms:
  • Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (1α,3R,4α,5R)-
  • Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, [1R-(1α,3α,4α,5β)]-
  • Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (-)-
  • D-Quinic acid
  • (1α,3R,4α,5R)-1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid
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