Structure Database (LMSD)

Common Name
Tricosanoyl-EA
Systematic Name
N-(Tricosanoyl)-ethanolamine
Synonyms
  • Tricosanoyl-ethanolamine
LM ID
LMFA08040053
Status
Active
Exact Mass
Calculate m/z
397.391979
Formula
Abbrev



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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)
WFRQXTUCHBFZII-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H51NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(28)26-23-24-27/h27H,2-24H2,1H3,(H,26,28)
SMILES (Click to copy)
C(CCCCCCCCCCCCC(=O)NCCO)CCCCCCCCC

References

Other Databases

PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 23
Van der Waals Molecular Volume 467.00
Topological Polar Surface Area 49.33
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 7.88
Molar Refractivity 123.71

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Created at
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Updated at
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