Structure Database (LMSD)

Common Name
1-dimethylarsinoyl-tricosane
Systematic Name
1-dimethylarsinoyl-tricosane
Synonyms
LM ID
LMFA00000033
Status
Active
Exact Mass
Calculate m/z
444.331236
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

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

Other Databases

PubChem CID

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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Updated at
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