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108212-76-6

108212-76-6 structural image
Product Name: N-Acetyl-Calicheamicin
Formula: C57H76IN3O22S4
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COMPUTED DESCRIPTORS

Molecular Weight 1410.4 g/mol
XLogP3 2
Hydrogen Bond Donor Count 7
Hydrogen Bond Acceptor Count 27
Rotatable Bond Count 24
Exact Mass 1409.28480 g/mol
Monoisotopic Mass 1409.28480 g/mol
Topological Polar Surface Area 418 Ų
Heavy Atom Count 87
Formal Charge 0
Complexity 2640
Isotope Atom Count 0
Defined Atom Stereocenter Count 19
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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