(2S)-2-hydroxy-2-methyl-3-oxobutanoic acid
Grundinformationen
- CAS
71698-08-3- Standard-SMILES
CC(=O)[C@](C)(O)C(=O)O- InChIKey
NMDWGEGFJUBKLB-YFKPBYRVSA-N- Summenformel
- C5H8O4
- Durchschnittliche Molmasse
- 132,11 g/mol
- Monoisotopische Masse
- 132,04225874
Überblick
(2S)-2-hydroxy-2-methyl-3-oxobutanoic acid is a 2-acetyllactic acid. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is a conjugate acid of a (2S)-2-hydroxy-2-methyl-3-oxobutanoate.
Namen und Bezeichner
- Bevorzugter Name
- (2S)-2-hydroxy-2-methyl-3-oxobutanoic acid
- IUPAC
- (2S)-2-hydroxy-2-methyl-3-oxobutanoic acid
- Englischer Name
- Butanoic acid, 2-hydroxy-2-methyl-3-oxo-, (2S)- (9CI)
- Summenformel
- C5H8O4
- Molmasse
- 132.11
Namen und Synonyme
(2S)-2-hydroxy-2-methyl-3-oxobutanoic acid71698-08-32-Acetolactate, (S)-RTS9ADR29ACHEBI:18409DTXSID70331535RefChem:934768DTXCID20282629(S)-2-hydroxy-2-methyl-3-oxobutanoic acid(S)-2-Acetolactate(S)-2-hydroxy-2-methyl-3-oxobutanoateButanoic acid, 2-hydroxy-2-methyl-3-oxo-, (S)-
Weitere Namen anzeigen
(S)-α-Acetolactic Acid(R)-α-Acetolactic AcidMetaraminol Impurity 57(S)-α-Acetolactic Acid Potassium SaltMonostearin Impurity 11 (Butyl Stearate)Butanoic acid, 2-hydroxy-2-methyl-3-oxo-, (2S)-Butanoic acid, 2-hydroxy-2-methyl-3-oxo-, (2S)- (9CI)
X2Xacetyl-D-lactic acidUNII-RTS9ADR29A(S)-alpha-Acetolactic acid119622-27-4SCHEMBL108620NMDWGEGFJUBKLB-YFKPBYRVSA-NLMFA01050460
Datenbank-Bezeichner
- CAS
71698-08-3- PubChem CID
- 440878
- DTXSID
DTXSID70331535- ChEBI
CHEBI:18409- UNII
- RTS9ADR29A
- Nikkaji
- J2.362.063D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,7
- Polarare Oberfläche (TPSA)
- 74,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 151
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
Physical DescriptionSolid
Physikochemische Eigenschaften
- Siedepunkt
- 284.7 · 284.7±25.0 °C(Predicted)
- Dichte
- 1.316 · 1.316±0.06 g/cm3(Predicted)
- Löslichkeit
- Methanol (Slightly), Water (Sparingly)
- pka
- 2.65 · 2.65±0.36(Predicted)
- Aggregatzustand
- Oil to Solid
- Farbe
- Colourless to Off-White
- Stabilität
- Hygroscopic, Temperature Sensitive
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Anwendungen
Verwenden(S)-α-Acetolactic Acid, is one of the enantiomers of acetolactate, which is the substrate of Acetolactate decarboxylase, which catalyzes the conversion of both enantiomers of acetolactate to the (R)-enantiomer of acetoin.
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