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330800-94-7

330800-94-7 structural image
Product Name: 13(R)-HODE CHOLESTERYL ESTER
Formula: C45H76O3
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COMPUTED DESCRIPTORS

Molecular Weight 665.1 g/mol
XLogP3 14.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 21
Exact Mass 664.57944628 g/mol
Monoisotopic Mass 664.57944628 g/mol
Topological Polar Surface Area 46.5 Ų
Heavy Atom Count 48
Formal Charge 0
Complexity 1050
Isotope Atom Count 0
Defined Atom Stereocenter Count 9
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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