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130676-66-3

130676-66-3 structural image
Product Name: (2S,3S,5S)-5-[(N-Formyl-L-leucyl)oxy]-2-hexyl-3-hydroxyhexadecanoic Acid (Orlistat Impurity)
Formula: C29H55NO6
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COMPUTED DESCRIPTORS

Molecular Weight 513.7 g/mol
XLogP3 9.2
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 25
Exact Mass 513.40293847 g/mol
Monoisotopic Mass 513.40293847 g/mol
Topological Polar Surface Area 113 Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 568
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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