Structure Database (LMSD)

Common Name
3R-hydroxy-isobutyric acid
Systematic Name
2R-methyl-3-hydroxy-propanoic acid
Synonyms
LM ID
LMFA01050382
Formula
Exact Mass
Calculate m/z
104.047345
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
DBXBTMSZEOQQDU-GSVOUGTGSA-N
InChi (Click to copy)
InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1
SMILES (Click to copy)
C(=O)(O)[C@H](C)CO

References

Other Databases

HMDB ID
PubChem CID
PDB 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 -0.02
Molar Refractivity 24.38

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Created at
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Updated at
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