Structure Database (LMSD)

Common Name
15-dimethylarsinoyl pentadecanoic acid
Systematic Name
15-dimethylarsinoyl pentadecanoic acid
Synonyms
LM ID
LMFA00000027
Status
Active
Exact Mass
Calculate m/z
362.180216
Formula


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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)
RJOXDLOOIZACDO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H35AsO3/c1-18(2,21)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17(19)20/h3-16H2,1-2H3,(H,19,20)
SMILES (Click to copy)
C([As](C)(=O)C)CCCCCCCCCCCCCC(=O)O

References

Reference
Identification and Quantification of Arsenolipids Using Reversed-Phase HPLC Coupled Simultaneously to High-Resolution ICPMS and High-Resolution Electrospray MS without Species-Specific Standards. Kenneth O. Amayo, Asta Petursdottir, Chris Newcombe, Helga Gunnlaugsdottir, Andrea Raab, Eva M. Krupp, and Jörg Feldmann. Anal. Chem., 2011, 83 (9), pp 3589–3595. DOI: 10.1021/ac2005873

https://pubs.acs.org/doi/full/10.1021/ac2005873

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Mallotus villosus (#30960)
Actinopteri (#186623)
Identification and quantification of arsenolipids using reversed-phase HPLC coupled simultaneously to high-resolution ICPMS and high-resolution electrospray MS without species-specific standards.,
Anal Chem, 2011
Pubmed ID: 21446761

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 348.31
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.78
Molar Refractivity 90.63

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Updated at
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