Structure Database (LMSD)
Common Name
1-dimethylarsinoyl-heptadecane
Systematic Name
1-dimethylarsinoyl-heptadecane
Synonyms
LM ID
LMFA11000716
Formula
C19H41OAs
Exact Mass
Calculate m/z
360.237333
Status
Curated
3D model of 1-dimethylarsinoyl-heptadecane
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
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
Anal Chem, 2011
Pubmed ID:
21446761
String Representations
InChiKey (Click to copy)
MKBFOWMTLICLPK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H41AsO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)21/h4-19H2,1-3H3
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCC)[As](C)(=O)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
367.97
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
7.49
Molar Refractivity
97.90
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Updated at
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