Structure Database (LMSD)
Common Name
3-Hydroxy-2-methyl-[R-(R,S)]-butanoic acid
Systematic Name
(2S,3R)-3-hydroxy-2-methylbutanoic acid
Synonyms
3D model of 3-Hydroxy-2-methyl-[R-(R,S)]-butanoic 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)
VEXDRERIMPLZLU-IUYQGCFVSA-N
InChi (Click to copy)
InChI=1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t3-,4+/m0/s1
SMILES (Click to copy)
C(O)(=O)[C@@H](C)[C@H](O)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
118.79
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
0.37
Molar Refractivity
28.99
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Created at
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Updated at
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