Structure Database (LMSD)
Common Name
2S-acetyl-2-hydroxy-butanoic acid
Systematic Name
2S-ethyl-2-hydroxy-3-oxobutanoic acid
Synonyms
3D model of 2S-acetyl-2-hydroxy-butanoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
VUQLHQFKACOHNZ-LURJTMIESA-N
InChi (Click to copy)
InChI=1S/C6H10O4/c1-3-6(10,4(2)7)5(8)9/h10H,3H2,1-2H3,(H,8,9)/t6-/m0/s1
SMILES (Click to copy)
C(=O)(O)[C@](C(C)=O)(O)CC
References
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
142.24
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
0.09
Molar Refractivity
34.07
Admin
Created at
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Updated at
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