Structure Database (LMSD)
Common Name
Isomontanic acid
Systematic Name
26-methyl-heptacosanoic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Isomontanic 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)
GCUBDUZUXAQLEY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C28H56O2/c1-27(2)25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28(29)30/h27H,3-26H2,1-2H3,(H,29,30)
SMILES (Click to copy)
C(CCCCCCCCCCCCC(=O)O)CCCCCCCCCCCC(C)C
References
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
0
Aromatic Rings
0
Rotatable Bonds
25
Van der Waals Molecular Volume
507.90
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
10.09
Molar Refractivity
133.28
Admin
Created at
-
Updated at
-