Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA00000036
Common Name8-dimethylarsinoyl-octanoic acid
Systematic Name8-dimethylarsinoyl-octanoic acid
Synonyms-
Exact Mass
264.0707 (neutral)    Calculate m/z:
FormulaC10H21O3As
CategoryFatty Acyls [FA]
Main ClassOther Fatty Acyls [FA00]
Sub Class-
PubChem CID-
InChIKeyOGWMGQJBCMJLQC-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H21AsO3/c1-11(2,14)9-7-5-3-4-6-8-10(12)13/h3-9H2,1-2H3,(H,12,13)
SMILESC(CCCCCCC(O)=O)[As](C)(=O)C
StatusActive
ReferencesSynthesis of two new arsenolipids and their identification in fish. Uriel Arroyo-Abad, Zehan Hu, Matthias Findeisen, Dietmar Pfeifer, Jurgen Mattusch, Thorsten Reemtsma and Christian Piechotta. European Journal of Lipid Science and Technology. Volume 118, Issue 3, May 2015. DOI:10.1002/ejlt.201400502.

https://onlinelibrary.wiley.com/doi/full/10.1002/ejlt.201400502
Calculated physicochemical properties (?):
 Heavy Atoms14Rings0Aromatic Rings0Rotatable Bonds8
 van der Waals
Molecular Volume
227.21Topological Polar
Surface Area
54.37Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP3.05Molar
Refractivity
58.31