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.
Citric acid is one of the active ingredients in Phexxi, a non-hormonal contraceptive agent that was approved by the FDA on May 2020.1 It is also used in combination with magnesium oxide to form magnesium citrate, an osmotic laxative.3
- Accession Number
- DBSALT001502
- Structure
Structure for Citric acid monohydrate (DBSALT001502)
- 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
Property Value Source Water Solubility 106.0 mg/mL ALOGPS logP -1.3 ALOGPS logP -1.3 Chemaxon logS -0.26 ALOGPS pKa (Strongest Acidic) 3.05 Chemaxon pKa (Strongest Basic) -4.2 Chemaxon Physiological Charge -3 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 132.13 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 35.62 m3·mol-1 Chemaxon Polarizability 15.51 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon