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191028-38-3

191028-38-3 structural image
Product Name: 1-(+)-CARBOXYMENTHYL-2,3:4,5-DI-O-CYCLOHEXYLIDENE-L-MYO-INOSITOL
Formula: C29H46O8
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COMPUTED DESCRIPTORS

Molecular Weight 522.7 g/mol
XLogP3 5.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 5
Exact Mass 522.31926842 g/mol
Monoisotopic Mass 522.31926842 g/mol
Topological Polar Surface Area 92.7 Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 819
Isotope Atom Count 0
Defined Atom Stereocenter Count 9
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes