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957004-88-5

957004-88-5 structural image
Product Name: HJXLYWPYPALBPQ-CGQFVENDSA-N
Formula: C45H54N2O12
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COMPUTED DESCRIPTORS

Molecular Weight 814.9 g/mol
XLogP3 6.7
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 13
Rotatable Bond Count 6
Exact Mass 814.36767516 g/mol
Monoisotopic Mass 814.36767516 g/mol
Topological Polar Surface Area 207 Ų
Heavy Atom Count 59
Formal Charge 0
Complexity 1740
Isotope Atom Count 0
Defined Atom Stereocenter Count 9
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 3
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes