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714252-21-8

714252-21-8 structural image
Product Name: WPE-III-63 hydrate
Formula: C60H80N8O9S
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COMPUTED DESCRIPTORS

Molecular Weight 1089.4 g/mol
XLogP3 7.8
Hydrogen Bond Donor Count 8
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 31
Exact Mass 1088.57689733 g/mol
Monoisotopic Mass 1088.57689733 g/mol
Topological Polar Surface Area 262 Ų
Heavy Atom Count 78
Formal Charge 0
Complexity 1890
Isotope Atom Count 0
Defined Atom Stereocenter Count 7
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes