Structure Database (LMSD)
Common Name
hexadecyl tricosanoate
Systematic Name
hexadecyl tricosanoate
Synonyms
- WE(16:0/23:0)
No other lipid differing only in stereochemistry/bond geometry found
3D model of hexadecyl tricosanoate
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)
KVPNEQOFBDJTSL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C39H78O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39(40)41-38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3
SMILES (Click to copy)
C(CCCCCCCCC)CCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC
References
Reference
Netherlands Institute for Sea Research (NIOZ) MBT database
Comments
Submitted by Henry Boumann, Netherlands
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
41
Rings
0
Aromatic Rings
0
Rotatable Bonds
37
Van der Waals Molecular Volume
698.20
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
14.51
Molar Refractivity
184.39
Admin
Created at
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Updated at
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