(2S)-2-hydroxy-2-methyl-3-oxobutanoic acid

Base Information

• Chemical Name: (2S)-2-hydroxy-2-methyl-3-oxobutanoic acid
• CAS No.: 71698-08-3
• Molecular Formula: C5H8 O4
• Molecular Weight: 132.11462
• UNII: RTS9ADR29A
• DSSTox Substance ID: DTXSID70331535
• Nikkaji Number: J2.362.063D
• Wikipedia: Acetolactic_acid
• Wikidata: Q209410
• Metabolomics Workbench ID: 39070
• Mol file: 71698-08-3.mol

Synonyms:13-biotinyl-Lys-dynorphin A amide (1-13);B-DYN A;dynorphin A amide (1-13), biocytin(13)-;dynorphin A amide (1-13), biotinyl-Lys(13)-;dynorphin A amide (1-13), biotinyl-lysine(13)-

Chemical Property of (2S)-2-hydroxy-2-methyl-3-oxobutanoic acid

Chemical Property:

• Boiling Point: 284.7±25.0 °C(Predicted)
• PKA: 2.65±0.36(Predicted)
• PSA: 74.60000
• Density: 1.316±0.06 g/cm3(Predicted)
• LogP: -0.58900
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 132.04225873
• Heavy Atom Count: 9
• Complexity: 151

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C(C)(C(=O)O)O
• Isomeric SMILES: CC(=O)[C@@](C)(C(=O)O)O
• Uses: (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.