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4572-56-9

4572-56-9 structural image
Product Name: (2Z,4S,4aS,5aS,6R,12aS)-2-(amino-hydroxy-methylidene)-7-bromo-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
Formula: C22H23BrN2O8
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COMPUTED DESCRIPTORS

Molecular Weight 523.3 g/mol
XLogP3 -1.2
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 2
Exact Mass 522.06378 g/mol
Monoisotopic Mass 522.06378 g/mol
Topological Polar Surface Area 182 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 1010
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes