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550-21-0

550-21-0 structural image
Product Name: ISOTOCIN
Formula: C41H63N11O12S2
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COMPUTED DESCRIPTORS

Molecular Weight 966.1 g/mol
XLogP3 -1.9
Hydrogen Bond Donor Count 12
Hydrogen Bond Acceptor Count 15
Rotatable Bond Count 15
Exact Mass 965.40990883 g/mol
Monoisotopic Mass 965.40990883 g/mol
Topological Polar Surface Area 427 Ų
Heavy Atom Count 66
Formal Charge 0
Complexity 1760
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