Structure Database (LMSD)

Common Name
(S)-2-Acetolactate
Systematic Name
(2S)-2-hydroxy-2-methyl-3-oxobutanoic acid
Synonyms
LM ID
LMFA01050460
Formula
Exact Mass
Calculate m/z
132.04226
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
NMDWGEGFJUBKLB-YFKPBYRVSA-N
InChi (Click to copy)
InChI=1S/C5H8O4/c1-3(6)5(2,9)4(7)8/h9H,1-2H3,(H,7,8)/t5-/m0/s1
SMILES (Click to copy)
C(=O)(O)[C@@](C)(O)C(=O)C

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID
PDB ID

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 124.94
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP -0.30
Molar Refractivity 29.45

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Created at
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Updated at
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