Structure Database (LMSD)
Common Name
3-Acetoxy-eicosanoic acid
Systematic Name
3-Acetoxy-eicosanoic acid
Synonyms
- 3-Acetoxy-icosanoic acid
LM ID
LMFA01050546
Formula
Exact Mass
Calculate m/z
370.30831
Sum Composition
Status
Active
3D model of 3-Acetoxy-eicosanoic 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)
SELBZODRWLCDNA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(19-22(24)25)26-20(2)23/h21H,3-19H2,1-2H3,(H,24,25)
SMILES (Click to copy)
C(CC(OC(=O)C)CCCCCCCCCCCCCCCCC)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
0
Aromatic Rings
0
Rotatable Bonds
20
Van der Waals Molecular Volume
419.04
Topological Polar Surface Area
63.6
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
6.94
Molar Refractivity
107.86
Admin
Created at
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Updated at
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