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53643-14-4

53643-14-4 structural image
Product Name: 4-METHYLUMBELLIFERYL BETA-D-N,N',N',N''-TETRAACETYLCHITOTETRAOSIDE
Formula: C42H60N4O23
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COMPUTED DESCRIPTORS

Molecular Weight 988.9 g/mol
XLogP3 -7.2
Hydrogen Bond Donor Count 13
Hydrogen Bond Acceptor Count 23
Rotatable Bond Count 16
Exact Mass 988.36483417 g/mol
Monoisotopic Mass 988.36483417 g/mol
Topological Polar Surface Area 399 Ų
Heavy Atom Count 69
Formal Charge 0
Complexity 1830
Isotope Atom Count 0
Defined Atom Stereocenter Count 20
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes