Structure Database (LMSD)
Common Name
2-hydroxy-3-oxoadipic acid
Systematic Name
2-hydroxy-3-oxohexanedioic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 2-hydroxy-3-oxoadipic 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)
DVIFFQAOYQDXGL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H8O6/c7-3(1-2-4(8)9)5(10)6(11)12/h5,10H,1-2H2,(H,8,9)(H,11,12)
SMILES (Click to copy)
C(=O)(O)C(O)C(=O)CCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
157.18
Topological Polar Surface Area
111.90
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
6
logP
-0.85
Molar Refractivity
36.03
Admin
Created at
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Updated at
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