Basic information
- CAS
357-89-1- Standard SMILES
O=C(O)CC(O)(C(=O)O)C(F)C(=O)O- InChIKey
DGXLYHAWEBCTRU-UHFFFAOYSA-N- Molecular formula
- C6H7FO7
- Average molar mass
- 210.11 g/mol
- Monoisotopic mass
- 210.01758078
Overview
Fluorocitric acid is a carbonyl compound.
Names & identifiers
- Preferred name
- Fluorocitric acid
- IUPAC
- 1-fluoro-2-hydroxypropane-1,2,3-tricarboxylic acid
- English name
- fluorocitrate
- Molecular weight
- 0
Names & synonyms
Fluorocitric acidFluorocitrate357-89-11-fluoro-2-hydroxypropane-1,2,3-tricarboxylic acidDTXSID80957104RefChem:921701DTXCID309500842-Fluoro-L-erythro-citrateErythrofluorocitrate (isomer)3-C-Carboxy-2,4-dideoxy-2-fluoropentaric acidPentaric acid, 3-C-carboxy-2,4-dideoxy-2-fluoro-SCHEMBL679467
Show more names
CHEBI:1740451-fluoro-2-hydroxypropane-1,2,3-tricarboxylicacid1-luoro-2-hydroxypropane-1,2,3-tricarboxylic acidQ3497407
Database identifiers
- CAS
357-89-1- PubChem CID
- 107647
- DTXSID
DTXSID80957104- ChEBI
CHEBI:174045- Nikkaji
- J1.134.088A
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- Toxicity
- A highly toxic material that kills by disrupting energy metabolism. Specifically, fluorocitrate inhibits aconitase, the enzyme responsible for conversion of citrate to isocitrate in the citric acid (Krebs) cycle. It is likely that the toxicities of fluoroacetamide and fluoroacetate can be attributed to their conversion in vivo to fluorocitrate.
Safety & regulation
Safety data
- Toxicity
- A highly toxic material that kills by disrupting energy metabolism. Specifically, fluorocitrate inhibits aconitase, the enzyme responsible for conversion of citrate to isocitrate in the citric acid (Krebs) cycle. It is likely that the toxicities of fluoroacetamide and fluoroacetate can be attributed to their conversion in vivo to fluorocitrate.
Chemistry & industry
Applications
UsesFluorocitric Acid is a glial metabolic inhibitor.
Suppliers1 total
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
Additional notes
DefinitionChEBI: Fluorocitric acid is a carbonyl compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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