Structure Database (LMSD)
Common Name
Phthioic acid
Systematic Name
3,13,19-trimethyl-tricosanoic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Phthioic 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)
GDZJBTPONREEGO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H52O2/c1-5-6-17-23(2)19-15-12-16-20-24(3)18-13-10-8-7-9-11-14-21-25(4)22-26(27)28/h23-25H,5-22H2,1-4H3,(H,27,28)
SMILES (Click to copy)
C(C(C)CCCCCCCCCC(C)CC(=O)O)CCCCC(C)CCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
0
Aromatic Rings
0
Rotatable Bonds
21
Van der Waals Molecular Volume
473.30
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
9.02
Molar Refractivity
123.91
Admin
Created at
-
Updated at
-