Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA00000043
Common Name17-trimethylarsenylheptadecan-1-ol
Systematic Name17-trimethylarsenylheptadecan-1-ol
Synonyms-
Exact Mass
375.2608 (neutral)    Calculate m/z:
FormulaC20H44OAs
CategoryFatty Acyls [FA]
Main ClassOther Fatty Acyls [FA00]
Sub Class-
PubChem CID132564253
InChIKeyITQUSLJANGKIFT-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H44AsO/c1-21(2,3)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22/h22H,4-20H2,1-3H3/q+1
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SMILES
C(CCO)CCCCCCCCCCCCCC[As+](C)(C)C
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StatusActive
ReferencesFat-soluble arsenic - new lipids with a sting in their tail
Lipid Technology Kevin A. Francesconi,Tanja Schwerdtle, Vol.28(5-6), pp96-98, 2016
https://doi.org/10.1002/lite.201600024
Calculated physicochemical properties (?):
 Heavy Atoms22Rings0Aromatic Rings0Rotatable Bonds17
 van der Waals
Molecular Volume
386.59Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP7.45Molar
Refractivity
104.98