Structure Database (LMSD)

Common Name
(S)-3,4-Dihydroxybutyric acid
Systematic Name
3,4-dihydroxybutanoic acid
Synonyms
LM ID
LMFA01050461
Formula
Exact Mass
Calculate m/z
120.04226
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
DZAIOXUZHHTJKN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H8O4/c5-2-3(6)1-4(7)8/h3,5-6H,1-2H2,(H,7,8)
SMILES (Click to copy)
C(O)(=O)CC(O)CO

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 8
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 110.28
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP -0.61
Molar Refractivity 26.35

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Created at
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Updated at
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