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81319-58-6

81319-58-6 structural image
Product Name: Hepta-O-acetyl-β-D-maltosyl-isothiocyanate
Formula: C27H35NO17S
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COMPUTED DESCRIPTORS

Molecular Weight 677.6 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 19
Rotatable Bond Count 19
Exact Mass 677.16256982 g/mol
Monoisotopic Mass 677.16256982 g/mol
Topological Polar Surface Area 256 Ų
Heavy Atom Count 46
Formal Charge 0
Complexity 1220
Isotope Atom Count 0
Defined Atom Stereocenter Count 10
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes