Structure Database (LMSD)
Common Name
Tetracosanoic acid, 15,16-dihydroxy-, methyl ester
Systematic Name
Methyl 15,16-dihydroxy-tetracosanoate
Synonyms
LM ID
LMFA01050530
Formula
Exact Mass
Calculate m/z
414.37091
Sum Composition
Status
Active
3D model of Tetracosanoic acid, 15,16-dihydroxy-, methyl ester
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)
ANKIJNMJOZDVJY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H50O4/c1-3-4-5-6-14-17-20-23(26)24(27)21-18-15-12-10-8-7-9-11-13-16-19-22-25(28)29-2/h23-24,26-27H,3-22H2,1-2H3
SMILES (Click to copy)
C(CCCCCCCCCCCCCC(O)C(O)CCCCCCCC)(=O)OC
References
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
0
Aromatic Rings
0
Rotatable Bonds
23
Van der Waals Molecular Volume
473.58
Topological Polar Surface Area
66.76
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
7.28
Molar Refractivity
123.07
Admin
Created at
-
Updated at
-