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50998-13-5

50998-13-5 structural image
Product Name: N-Acetyl-β-neuraminic acid methyl ester monohydrate
Formula: C12H21NO9
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COMPUTED DESCRIPTORS

Molecular Weight 323.30 g/mol
XLogP3 -3.1
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 6
Exact Mass 323.12163125 g/mol
Monoisotopic Mass 323.12163125 g/mol
Topological Polar Surface Area 166 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 417
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 6
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes