3-(9-iodooctadecanoyloxy)-4-(trimethylazaniumyl)butanoate
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3-(9-iodooctadecanoyloxy)-4-(trimethylazaniumyl)butanoate
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CAS No:
104855-15-4
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Formula:
C25H48INO4
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Chemical Name:
3-(9-iodooctadecanoyloxy)-4-(trimethylazaniumyl)butanoate
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Synonyms:
9-iodooctadecanoyl carnitine;9-iodostearyl carnitine;9-monoiodooctadecanoyl carnitine;9-monoiodostearyl carnitine;104855-15-4;9-Iodostearyl carnitine;9-Monoiodostearyl carnitine;9-Iodooctadecanoyl carnitine;9-Monoiodooctadecanoyl carnitine;DTXSID80909249;3-[(9-Iodooctadecanoyl)oxy]-4-(trimethylazaniumyl)butanoate
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CAS No:
3-(9-iodooctadecanoyloxy)-4-(trimethylazaniumyl)butanoate Basic Attributes
553.6 g/mol
553.26281 g/mol
Computed Properties
Molecular Weight:553.6
XLogP3:9.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:21
Exact Mass:553.26281
Monoisotopic Mass:553.26281
Topological Polar Surface Area:66.4
Heavy Atom Count:31
Complexity:459
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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