Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA00000033
Common Name1-dimethylarsinoyl-tricosane
Systematic Name1-dimethylarsinoyl-tricosane
Synonyms-
Exact Mass
444.3312 (neutral)    Calculate m/z:
FormulaC25H53OAs
CategoryFatty Acyls [FA]
Main ClassOther Fatty Acyls [FA00]
Sub Class-
PubChem CID-
InChIKeyZCBSGSPABPUWKY-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H53AsO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-2
5-26(2,3)27/h4-25H2,1-3H3
SMILESC(CCCCCCCCCCCCCCCCCCCCCC)[As](C)(=O)C
StatusActive
ReferencesArsenolipids in marine oils and fats: A review of occurrence, chemistry and future research needs. Veronika Sele, Jens J. Sloth, Anne-Katrine Lundebye, Erik H. Larsen, Marc H. G. Berntssen, Heidi Amlund. Food Chemistry. Volume 133, Issue 3, 1 August 2012, Pages 618-630. DOI: /10.1016/j.foodchem.2012.02.004


https://www.sciencedirect.com/science/article/pii/S0308814612001677?via%3Dihub
Calculated physicochemical properties (?):
 Heavy Atoms27Rings0Aromatic Rings0Rotatable Bonds22
 van der Waals
Molecular Volume
471.77Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP9.83Molar
Refractivity
125.61