Structure Database (LMSD)
Common Name
1,21-Heneicosanediol
Systematic Name
henicosane-1,21-diol
Synonyms
LM ID
LMFA05000579
Formula
Exact Mass
Calculate m/z
328.33413
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of 1,21-Heneicosanediol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
YDIUKXTYXBWRIP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H44O2/c22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23/h22-23H,1-21H2
SMILES (Click to copy)
OCCCCCCCCCCCCCCCCCCCCCO
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
0
Aromatic Rings
0
Rotatable Bonds
20
Van der Waals Molecular Volume
389.44
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
6.95
Molar Refractivity
102.87
Admin
Created at
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Updated at
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