Structure Database (LMSD)

Common Name
(S)-3-Hydroxybutyric acid
Systematic Name
(3S)-3-hydroxybutanoic acid
Synonyms
LM ID
LMFA01050463
Formula
Exact Mass
Calculate m/z
104.047345
Sum Composition
Status
Active

Main

Classification

String Representations

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

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID
PDB ID
GuidePharm ID

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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Created at
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Updated at
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