Structure Database (LMSD)
Common Name
Eicosanedioic acid
Systematic Name
Eicosanedioic acid
Synonyms
LM ID
LMFA01170035
Formula
Exact Mass
Calculate m/z
342.27701
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of Eicosanedioic 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)
JJOJFIHJIRWASH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H38O4/c21-19(22)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)24/h1-18H2,(H,21,22)(H,23,24)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCC(=O)O)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
19
Van der Waals Molecular Volume
384.44
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
6.18
Molar Refractivity
98.38
Admin
Created at
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Updated at
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