PeptideDB

Quinic acid 77-95-2

Quinic acid 77-95-2

CAS No.: 77-95-2

D-(-)-Quinic acid is a cyclohexylcarboxylic acid, which is responsible for the acidity of coffee.
Data collection:peptidedb@qq.com

This product is for research use only, not for human use. We do not sell to patients.

D-(-)-Quinic acid is a cyclohexylcarboxylic acid, which is responsible for the acidity of coffee.

Physicochemical Properties


Molecular Formula C7H12O6
Molecular Weight 192.1666
Exact Mass 192.063
CAS # 77-95-2
PubChem CID 6508
Appearance White to off-white solid powder
Density 1.8±0.1 g/cm3
Boiling Point 438.4±45.0 °C at 760 mmHg
Melting Point 165-170 °C
Flash Point 233.1±25.2 °C
Vapour Pressure 0.0±2.4 mmHg at 25°C
Index of Refraction 1.687
LogP -2.01
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 1
Heavy Atom Count 13
Complexity 203
Defined Atom Stereocenter Count 2
SMILES

C1[C@H](C([C@@H](CC1(C(=O)O)O)O)O)O

InChi Key AAWZDTNXLSGCEK-LNVDRNJUSA-N
InChi Code

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
Chemical Name

(3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid
HS Tariff Code 2934.99.9001
Storage

Powder-20°C 3 years

4°C 2 years

In solvent -80°C 6 months

-20°C 1 month

Shipping Condition Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity


Additional Infomation (-)-quinic acid is the (-)-enantiomer of quinic acid. It is a conjugate acid of a (-)-quinate. It is an enantiomer of a (+)-quinic acid.
Quinic acid has been reported in Camellia sinensis, Cuscuta reflexa, and other organisms with data available.
An acid which is found in cinchona bark and elsewhere in plants. (From Stedman, 26th ed)

Solubility Data


Solubility (In Vitro) H2O : ~125 mg/mL (~650.47 mM)
Solubility (In Vivo) Solubility in Formulation 1: 100 mg/mL (520.37 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 5.2037 mL 26.0186 mL 52.0373 mL
5 mM 1.0407 mL 5.2037 mL 10.4075 mL
10 mM 0.5204 mL 2.6019 mL 5.2037 mL
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.