Cas no 36413-60-2 (Cyclohexanecarboxylicacid, 1,3,4,5-tetrahydroxy-, (1a,3R,4a,5R)-rel-)

Cyclohexanecarboxylicacid, 1,3,4,5-tetrahydroxy-, (1a,3R,4a,5R)-rel- structure
36413-60-2 structure
Product Name:Cyclohexanecarboxylicacid, 1,3,4,5-tetrahydroxy-, (1a,3R,4a,5R)-rel-
CAS No:36413-60-2
MF:C7H12O6
MW:192.166583061218
CID:311550
PubChem ID:37439
Update Time:2025-04-19

Cyclohexanecarboxylicacid, 1,3,4,5-tetrahydroxy-, (1a,3R,4a,5R)-rel- Chemical and Physical Properties

Names and Identifiers

    • Cyclohexanecarboxylicacid, 1,3,4,5-tetrahydroxy-, (1a,3R,4a,5R)-rel-
    • QUINIC ACID
    • 1,3,4,5-Tetrahydroxy-cyclohexancarbonsaeure
    • 1,3,4,5-tetrahydroxy-cyclohexanecarboxylic acid
    • Chinasaeure
    • Cordycepinsaeure
    • Cyclohexantetrol-(1.3.4.5)-carbonsaeure-(1)
    • Hexahydro-1,3,4,5-tetrahydroxybenzoic acid
    • AB00514049
    • EINECS 253-023-5
    • (1R,3S,4R,5S)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid
    • BDBM50591795
    • SR-01000838829
    • DTXSID701337780
    • SR-01000838829-2
    • HMS2235F23
    • CHEBI:36124
    • 1D-1(OH),3,4/5-tetrahydroxycyclohexanecarboxylic acid
    • Q27116711
    • A,5R)-1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid
    • A,3R,4
    • SMR001233454
    • BPBio1_001328
    • AI3-63020
    • CHEMBL444501
    • MLS002154154
    • NSC 1115
    • HMS2098M08
    • Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (1alpha,3alpha,4alpha,5beta)-
    • 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid (1alpha,3alpha,4alpha,5beta)-
    • 36413-60-2
    • BSPBio_001206
    • (+)-quinic acid
    • (3S,5S)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid
    • NCGC00142589-01
    • Prestwick3_001103
    • rel-(1
    • AAWZDTNXLSGCEK-DRMQKGJZSA-N
    • Quinate QUINIC ACID Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (1.alpha.,3.alpha.,4.alpha.,5.beta.)- Quinic acid
    • Kinic acid
    • L-Quinic acid
    • D-Quinic acid
    • (-)-Quinic acid
    • Chinic acid
    • 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?/m0/s1
    • InChI Key： AAWZDTNXLSGCEK-ZHQZDSKASA-N
    • SMILES： OC1(C(=O)O)C[C@@H](C([C@H](C1)O)O)O

Computed Properties

  • Exact Mass: 192.06300
  • Monoisotopic Mass: 192.063388
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 203
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • XLogP3: -2.4
  • Topological Polar Surface Area: 118

Experimental Properties

  • Color/Form: White transparent crystal. It exists in the bark of cinchona. It has a strong sour taste. It can form lactone in high humidity
  • Density: 1.828
  • Boiling Point: 438.4°Cat760mmHg
  • Flash Point: 233.1°C
  • PSA: 118.22000
  • LogP: -2.32140
  • Solubility: Soluble in 2.5 parts of water \ ethanol and glacial acetic acid, insoluble in ether

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