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Substance Name: Quinic acid
RN: 77-95-2
UNII: 058C04BGYI
InChIKey: AAWZDTNXLSGCEK-WYWMIBKRSA-N

Note

  • An acid which is found in cinchona bark and elsewhere in plants. (From Stedman, 26th ed).

Classification Code

  • Mutation Data

Molecular Formula

  • C7-H12-O6

Molecular Weight

  • 192.1658
 
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Names and Synonyms

Name of Substance

  • Quinic acid

MeSH Heading

  • Quinic acid

Synonyms

  • (-)-1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid
  • (-)-Quinic acid
  • Chinasaure
  • Chinic acid
  • Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (1R-(1-alpha,3-alpha,4-alpha,5-beta))-
  • D-(-)-Quinic acid
  • D-Quinic acid
  • EINECS 201-072-8
  • Kinic acid
  • NSC 59258
  • Quinic acid
  • UNII-058C04BGYI

Systematic Names

  • 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid (1R-(1alpha,3alpha,4alpha,5beta)
  • Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (-)-
  • Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (1alpha,3R,4alpha,5R)-
  • Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (1R-(1alpha,3alpha,4alpha,5beta))-
  • Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (1theta-(1alpha,3alpha,4alpha,5beta))-

Registry Numbers

CAS Registry Number

  • 77-95-2

FDA UNII

  • 058C04BGYI

Other Registry Number

  • 35949-55-4

System Generated Number

  • 0000077952

Structure Descriptors

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

InChIKey

AAWZDTNXLSGCEK-WYWMIBKRSA-N

Smiles

O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 10gm/kg (10000mg/kg)   Zeitschrift fuer die Gesamte Experimentelle Medizin. Vol. 113, Pg. 536, 1944.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 162.5 deg C   EXP
log P (octanol-water) -2.450 (none)   EST
Water Solubility 2.90E+05 mg/L 9 EXP
Atmospheric OH Rate Constant 4.06E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.