Basic information
- CAS
1187-99-1- Standard SMILES
O=C(O)C(=O)CC(O)C(=O)O- InChIKey
WXSKVKPSMAHCSG-UHFFFAOYSA-N- Molecular formula
- C5H6O6
- Average molar mass
- 162.1 g/mol
Overview
4-hydroxy-2-oxoglutaric acid is an oxo dicarboxylic acid comprising glutaric acid having oxo- and hydroxy substituents at the 2- and 4-positions respectively. It is functionally related to a glutaric acid. It is a conjugate acid of a 4-hydroxy-2-oxoglutarate(1-).
Names & identifiers
- Preferred name
- 4-Hydroxy-2-oxoglutaric acid
- IUPAC
- 2-hydroxy-4-oxopentanedioic acid
- English name
- 2-hydroxy-4-oxo-pentanedioic acid
- Molecular formula
- C5H6O6
- Molecular weight
- 162.1
Names & synonyms
2-Hydroxy-4-oxopentanedioic acid1187-99-14-Hydroxy-2-oxoglutaric acid2-keto-4-hydroxyglutarateCHEBI:30923RefChem:912544DTXCID70811322DTXSID60862580(+-)-2-hydroxy-4-oxopentanedioic acidPentanedioic acid,2-hydroxy-4-oxo-DL-4-Hydroxy-2-ketoglutarate Dilithium SaltDL-4-HYDROXY-2-KETOGLUTARATE
Show more names
DL-KHG Li2-hydroxy-4-oxo-pentanedioic acid4-Hydroxy-2-oxoglutaric acid lithium saltDL-4-Hydroxy-2-ketoglutarate disodium saltDL-4-Hydroxy-2-ketoglutaric acid lithium salt
Pentanedioic acid, 2-hydroxy-4-oxo-SCHEMBL1260634-hydroxy-2-ketoglutaric acidorb2939699WXSKVKPSMAHCSG-UHFFFAOYSA-NMFCD18382351TYD-00892(+/-)-2-hydroxy-4-oxopentanedioate
Database identifiers
- CAS
1187-99-1- PubChem CID
- 599
- ChEBI
CHEBI:30923
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 195
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 250 °C · >250°C (dec.)
- Boiling point
- 425.6 · 425.6±35.0 °C(Predicted)
- Density
- 1.7 · 1.700±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- Water
- form
- Solid
- pka
- 2.34 · 2.34±0.54(Predicted)
- color
- Off-White
- BRN
- 1780096 · 1780096
- InChI
- 1S/C5H6O6/c6-2(4(8)9)1-3(7)5(10)11/h2,6H,1H2,(H,8,9)(H,10,11)
- InChIKey
- WXSKVKPSMAHCSG-UHFFFAOYSA-N
- SMILES
- OC(CC(=O)C(=O)O)C(=O)O
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 28 · NA.28
Safety & regulation
Safety data
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
Cellular LocationsMitochondria
Metabolite PathwaysArginine and proline metabolism
Applications
UsesA 4-substituted analog of Glutamic acid. This compound is a good enzyme substrate for GOT (glutamic oxalacetic aminotransferase).
Suppliers11 total
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Aladdin Scientific[email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
1 records
Compound notes
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