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799812-99-0

799812-99-0 structural image
Product Name: lignoceroyl CoenzyMe A (aMMoniuM salt)
Formula: C45H85N8O17P3S
Synonyms: lignoceroyl Coenzyme A (ammonium salt)
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COMPUTED DESCRIPTORS

Molecular Weight 1169.2 g/mol
Hydrogen Bond Donor Count 9
Hydrogen Bond Acceptor Count 22
Rotatable Bond Count 42
Exact Mass 1168.54972364 g/mol
Monoisotopic Mass 1168.54972364 g/mol
Topological Polar Surface Area 400 Ų
Heavy Atom Count 76
Formal Charge 0
Complexity 1740
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 4
Compound Is Canonicalized Yes