Structure Database (LMSD)
Common Name
hexadecyl hexacosanoate
Systematic Name
hexadecyl hexacosanoate
Synonyms
- WE(16:0/26:0)
No other lipid differing only in stereochemistry/bond geometry found
3D model of hexadecyl hexacosanoate
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)
IIWLDEGUWUNAAK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C42H84O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42(43)44-41-39-37-35-33-31-29-18-16-14-12-10-8-6-4-2/h3-41H2,1-2H3
SMILES (Click to copy)
C(CCCCCCCCCCCC)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
44
Rings
0
Aromatic Rings
0
Rotatable Bonds
40
Van der Waals Molecular Volume
750.10
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
15.68
Molar Refractivity
198.24
Admin
Created at
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Updated at
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