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15596-27-7

15596-27-7 structural image
Product Name: D-mannitol hexanicotinate
Formula: C42H32N6O12
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COMPUTED DESCRIPTORS

Molecular Weight 812.7 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 18
Rotatable Bond Count 23
Exact Mass 812.20782048 g/mol
Monoisotopic Mass 812.20782048 g/mol
Topological Polar Surface Area 235 Ų
Heavy Atom Count 60
Formal Charge 0
Complexity 1340
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