Citric acid monohydrateProduct ingredient for Citric acid

Name
Citric acid monohydrate
Drug Entry
Citric acid

A key intermediate in metabolism. It is an acid compound found in citrus fruits. The salts of citric acid (citrates) can be used as anticoagulants due to their calcium chelating ability.

Accession Number
DBSALT001502
Structure
Thumb
Synonyms
Not Available
UNII
2968PHW8QP
CAS Number
5949-29-1
Weight
Average: 210.138
Monoisotopic: 210.037567282
Chemical Formula
C6H10O8
InChI Key
YASYEJJMZJALEJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O7.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2
IUPAC Name
2-hydroxypropane-1,2,3-tricarboxylic acid hydrate
SMILES
O.OC(=O)CC(O)(CC(O)=O)C(O)=O
External Links
KEGG Compound
C12649
ChemSpider
20872
ChEBI
31404
ChEMBL
CHEMBL2107737
Wikipedia
Citric_acid
Predicted Properties
PropertyValueSource
Water Solubility106.0 mg/mLALOGPS
logP-1.3ALOGPS
logP-1.3ChemAxon
logS-0.26ALOGPS
pKa (Strongest Acidic)3.05ChemAxon
pKa (Strongest Basic)-4.2ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area132.13 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity35.62 m3·mol-1ChemAxon
Polarizability15.51 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon