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Homecas129038-42-2

129038-42-2

Product Name: ECHISTATIN
Formula: C217H341N71O74S9
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COMPUTED DESCRIPTORS

Molecular Weight 5425 g/mol
XLogP3 -39.9
Hydrogen Bond Donor Count 88
Hydrogen Bond Acceptor Count 94
Rotatable Bond Count 183
Exact Mass 5423.3282225 g/mol
Monoisotopic Mass 5421.3215128 g/mol
Topological Polar Surface Area 2390 Ų
Heavy Atom Count 371
Formal Charge 0
Complexity 13400
Isotope Atom Count 0
Defined Atom Stereocenter Count 48
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes