Structure Database (LMSD)
Common Name
1-dimethylarsinoyl-tricosane
Systematic Name
1-dimethylarsinoyl-tricosane
Synonyms
LM ID
LMFA00000033
Formula
C25H53OAs
Exact Mass
Calculate m/z
444.331236
Status
Active
3D model of 1-dimethylarsinoyl-tricosane
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)
ZCBSGSPABPUWKY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H53AsO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(2,3)27/h4-25H2,1-3H3
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCCCCC)[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
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
0
Aromatic Rings
0
Rotatable Bonds
22
Van der Waals Molecular Volume
471.77
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
9.83
Molar Refractivity
125.61
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Created at
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Updated at
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