Structure Database (LMSD)
Common Name
a,b-dihydroxy-isobutyric acid
Systematic Name
2,3-dihydroxy-2-methyl-propanoic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of a,b-dihydroxy-isobutyric acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
DGADNPLBVRLJGD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H8O4/c1-4(8,2-5)3(6)7/h5,8H,2H2,1H3,(H,6,7)
SMILES (Click to copy)
C(=O)(O)C(O)(C)CO
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
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
Admin
Created at
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Updated at
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