Structure Database (LMSD)

Common Name
Heptadecyl-palmitate
Systematic Name
heptadecyl hexadecanoate
Synonyms
  • WE(17:0/16:0)
LM ID
LMFA07010003
Status
Active
Exact Mass
Calculate m/z
494.50628
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)
JSCXULKPIQSBSR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C33H66O2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-35-33(34)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
SMILES (Click to copy)
CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCC

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 35
Rings 0
Aromatic Rings 0
Rotatable Bonds 31
Van der Waals Molecular Volume 594.40
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 12.17
Molar Refractivity 156.69

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Updated at
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