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99756-37-3

99756-37-3 structural image
Product Name: 1,4-DIBENZOYL-2,3:5,6-DI-O-ISOPROPYLIDENE-MYO-INOSITOL
Formula: C26H28O8
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COMPUTED DESCRIPTORS

Molecular Weight 468.5 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 6
Exact Mass 468.17841785 g/mol
Monoisotopic Mass 468.17841785 g/mol
Topological Polar Surface Area 89.5 Ų
Heavy Atom Count 34
Formal Charge 0
Complexity 675
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes