Structure Database (LMSD)
Common Name
1,20-Eicosanediol
Systematic Name
icosane-1,20-diol
Synonyms
LM ID
LMFA05000578
Formula
Exact Mass
Calculate m/z
314.31848
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of 1,20-Eicosanediol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
PGMMMHFNKZSYEP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H42O2/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22/h21-22H,1-20H2
SMILES (Click to copy)
OCCCCCCCCCCCCCCCCCCCCO
References
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
0
Aromatic Rings
0
Rotatable Bonds
19
Van der Waals Molecular Volume
372.14
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
6.56
Molar Refractivity
98.26
Admin
Created at
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Updated at
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