Structure Database (LMSD)

Common Name
2S-Hydroxybutanoic acid
Systematic Name
2S-hydroxy-butanoic acid
Synonyms
  • 2-Hydroxybutanoic acid
LM ID
LMFA01050342
Formula
C4H8O3
Exact Mass
Calculate m/z
104.047345
Sum Composition
FA 4:0;O
Status
Active
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Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
AFENDNXGAFYKQO-VKHMYHEASA-N
InChi (Click to copy)
InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1
SMILES (Click to copy)
[C@H](O)(CC)C(=O)O

Other Databases

Wikipedia
2-Hydroxybutyric_acid
KEGG ID
C05984
HMDB ID
HMDB00008
CHEBI ID
50613
PubChem CID
440864

Calculated Physicochemical Properties

Heavy Atoms 7
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 101.49
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 0.13
Molar Refractivity 24.45

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Updated at
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