| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 04:48:38 UTC |
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| Update Date | 2016-11-09 01:15:12 UTC |
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| Accession Number | CHEM015332 |
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| Identification |
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| Common Name | Potassium citrate anhydrous |
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| Class | Small Molecule |
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| Description | The anhydrous form of the tripotassium salt of citric acid. |
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| Contaminant Sources | |
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| Anhydrous potassium citrate | ChEBI | | Anhydrous tripotassium citrate | ChEBI | | Citric acid tripotassium salt (anh.) | ChEBI | | Citric acid tripotassium salt (anhydrous) | ChEBI | | Potassium citrate (anh.) | ChEBI | | Potassium citrate anhydrous | ChEBI | | Tripotassium cirtate | ChEBI | | Tripotassium citrate (anh.) | ChEBI | | Tripotassium citrate (anhydrous) | ChEBI | | Anhydrous potassium citric acid | Generator | | Anhydrous tripotassium citric acid | Generator | | Citrate tripotassium salt (anh.) | Generator | | Citrate tripotassium salt (anhydrous) | Generator | | Potassium citric acid (anh.) | Generator | | Potassium citric acid anhydrous | Generator | | Tripotassium cirtic acid | Generator | | Tripotassium citric acid (anh.) | Generator | | Tripotassium citric acid (anhydrous) | Generator | | Potassium citric acid | Generator | | Anhydrous, potassium citrate | MeSH | | Citrate, potassium | MeSH |
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| Chemical Formula | C6H5K3O7 |
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| Average Molecular Mass | 306.394 g/mol |
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| Monoisotopic Mass | 305.895 g/mol |
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| CAS Registry Number | 866-84-2 |
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| IUPAC Name | tripotassium 2-hydroxypropane-1,2,3-tricarboxylate |
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| Traditional Name | tripotassium citrate |
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| SMILES | [K+].[K+].[K+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O |
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| InChI Identifier | InChI=1S/C6H8O7.3K/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);;;/q;3*+1/p-3 |
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| InChI Key | QEEAPRPFLLJWCF-UHFFFAOYSA-K |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Carboxylic acids and derivatives |
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| Sub Class | Tricarboxylic acids and derivatives |
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| Direct Parent | Tricarboxylic acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Tricarboxylic acid or derivatives
- Tertiary alcohol
- Carboxylic acid salt
- Organic alkali metal salt
- Carboxylic acid
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organic potassium salt
- Organic salt
- Organooxygen compound
- Carbonyl group
- Alcohol
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-0a4i-0009000000-1c9c5a3c5c210234aa14 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0a4i-0009000000-3dd73ce1efa64bf73fa2 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4i-0009000000-3dd73ce1efa64bf73fa2 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-0009000000-3dd73ce1efa64bf73fa2 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0009000000-470a919c7da1dc34db6a | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-0009000000-470a919c7da1dc34db6a | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0udi-0009000000-470a919c7da1dc34db6a | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | DB09125 |
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| HMDB ID | Not Available |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Potassium citrate |
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| Chemspider ID | Not Available |
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| ChEBI ID | 64733 |
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| PubChem Compound ID | 13344 |
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| Kegg Compound ID | Not Available |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | Not Available |
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