Structure Database (LMSD)
Common Name
2-Hydroxyadipic acid
Systematic Name
2-hydroxy-Hexanedioic acid
Synonyms
3D model of 2-Hydroxyadipic 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)
OTTXIFWBPRRYOG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H10O5/c7-4(6(10)11)2-1-3-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)
SMILES (Click to copy)
C(C(O)CCCC(=O)O)(=O)O
References
Other Databases
LIPIDAT ID
4736
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
Cayman ID
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
151.03
Topological Polar Surface Area
94.83
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
logP
-0.03
Molar Refractivity
35.64
Admin
Created at
-
Updated at
9th Jun 2022