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
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
Other Databases
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
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Updated at
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