Structure Database (LMSD)

Common Name
hexadecyl pentacosanoate
Systematic Name
hexadecyl pentacosanoate
Synonyms
  • WE(16:0/25:0)
LM ID
LMFA07010008
Status
Active
Exact Mass
Calculate m/z
606.63148
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
RKQZBMBKAGLDEB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C41H82O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41(42)43-40-38-36-34-32-30-28-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3
SMILES (Click to copy)
C(CCCCCCCCCCC)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 43
Rings 0
Aromatic Rings 0
Rotatable Bonds 39
Van der Waals Molecular Volume 732.80
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 15.29
Molar Refractivity 193.63

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Created at
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Updated at
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