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134637-04-0

134637-04-0 structural image
Product Name: O-demethylchlorothricin
Formula: C49H61ClO16
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COMPUTED DESCRIPTORS

Molecular Weight 941.4 g/mol
XLogP3 7.7
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 16
Rotatable Bond Count 8
Exact Mass 940.3648135 g/mol
Monoisotopic Mass 940.3648135 g/mol
Topological Polar Surface Area 234 Ų
Heavy Atom Count 66
Formal Charge 0
Complexity 1980
Isotope Atom Count 0
Defined Atom Stereocenter Count 15
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes