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99520-83-9

99520-83-9 structural image
Product Name: (S)-1,2,4-TRITOSYL BUTANETRIOL
Formula: C25H28O9S3
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COMPUTED DESCRIPTORS

Molecular Weight 568.7 g/mol
XLogP3 4.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 12
Exact Mass 568.08954599 g/mol
Monoisotopic Mass 568.08954599 g/mol
Topological Polar Surface Area 155 Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 999
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes