Structure Database (LMSD)
Common Name
11-dimethylarsinoyl-undecanoic acid
Systematic Name
11-dimethylarsinoyl-undecanoic acid
Synonyms
LM ID
LMFA00000037
Formula
C13H27O3As
Exact Mass
Calculate m/z
306.117616
Status
Active
3D model of 11-dimethylarsinoyl-undecanoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
XESWZZJIQNYKSL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H27AsO3/c1-14(2,17)12-10-8-6-4-3-5-7-9-11-13(15)16/h3-12H2,1-2H3,(H,15,16)
SMILES (Click to copy)
C(CCCCCCCCCC(O)=O)[As](C)(=O)C
References
Reference
Arsenolipids 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
https://www.sciencedirect.com/science/article/pii/S0308814612001677?via%3Dihub
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
279.11
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
4.22
Molar Refractivity
72.16
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Created at
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Updated at
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