Structure Database (LMSD)
Common Name
Corynomycolic acid
Systematic Name
3-hydroxy-2-tetradecyloctadecanoic acid
Synonyms
- mycolic acid (C32)
- synthetic mycolic acid
3D model of Corynomycolic 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
References
String Representations
InChiKey (Click to copy)
CUEQHYJSSUSIFI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C32H64O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)30(32(34)35)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h30-31,33H,3-29H2,1-2H3,(H,34,35)
SMILES (Click to copy)
C(CCC)CCCCCCCCCCCC(C(CCCCCCCCCCCCCC)C(=O)O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
35
Rings
0
Aromatic Rings
0
Rotatable Bonds
29
Van der Waals Molecular Volume
585.89
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
10.91
Molar Refractivity
153.65
Admin
Created at
-
Updated at
21st Mar 2024