Structure Database (LMSD)

Common Name
hexadecyl tricosanoate
Systematic Name
hexadecyl tricosanoate
Synonyms
  • WE(16:0/23:0)
LM ID
LMFA07010007
Status
Active
Exact Mass
Calculate m/z
578.60018
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)
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

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Updated at
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