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111093-45-9

111093-45-9 structural image
Product Name: S-ADENOSYL-L-[METHYL-3H]METHIONINE
Formula: C15H19N6O5ST3
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COMPUTED DESCRIPTORS

Molecular Weight 404.5 g/mol
XLogP3 -2.8
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 6
Exact Mass 404.16191175 g/mol
Monoisotopic Mass 404.16191175 g/mol
Topological Polar Surface Area 187 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 527
Isotope Atom Count 3
Defined Atom Stereocenter Count 5
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes