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
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
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