Citrate
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Basic information
- CAS
126-44-3- Standard SMILES
O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-]- InChIKey
KRKNYBCHXYNGOX-UHFFFAOYSA-K- Molecular formula
- C6H5O7-3
- Average molar mass
- 189.1 g/mol
- Monoisotopic mass
- 189.00517324
Overview
Lithium Citrate can cause developmental toxicity according to state or federal government labeling requirements.
Names & identifiers
- Preferred name
- Citrate
- IUPAC
- 2-hydroxypropane-1,2,3-tricarboxylate
- English name
- ANION STANDARD - CITRATE
- Molecular formula
- C6H5O7(-3)
- Molecular weight
- 189.1
Names & synonyms
citrate126-44-3Citrate IonDTXSID30155037citrate saltRefChem:577453DTXCID4077528CHEBI:507442-hydroxypropane-1,2,3-tricarboxylateCITRATE ANION664CCH53PIcitr
Show more names
ANION STANDARD - CITRATEAnion Standard - Citrate@1000 μg/mL in Water
2-Hydroxy-1,2,3-propanetricarboxylate(3-)1,2,3-Propanetricarboxylic acid, 2-hydroxy-, ion(3-)citrate(3-)citrate trianion2qpq3itc3kgqcitrate(3-) anion
Database identifiers
- CAS
126-44-3- PubChem CID
- 31348
- DTXSID
DTXSID30155037- ChEBI
CHEBI:16947- UNII
- 664CCH53PI
- Nikkaji
- J209.358H
Properties
Computed structural propertiesFilling in
- XLogP
- 0.2
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- -3
- Complexity
- 211
Physicochemical properties
- FDA UNII
- 664 CCH53PI · 664CCH53PI
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents that prevent BLOOD CLOTTING.
Substances that bind to and sequester CALCIUM ions.
Additional notes
DefinitionChEBI: A tricarboxylic acid trianion, obtained by deprotonation of the three carboxy groups of citric acid.
Related reactions
133 records
Compound notes
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