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940002-57-3

940002-57-3 structural image
Product Name: Sitagliptin N-Sulfate
Formula: C16H15F6N5O4S
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COMPUTED DESCRIPTORS

Molecular Weight 487.4 g/mol
XLogP3 0.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 13
Rotatable Bond Count 6
Exact Mass 487.07489412 g/mol
Monoisotopic Mass 487.07489412 g/mol
Topological Polar Surface Area 126 Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 784
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes