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204254-94-4

204254-94-4 structural image
Product Name: (3R,4R,5R)-4-(1-Ethylpropoxy)-3-hydroxy-5-[(Methylsulfonyl)oxy]-1-cyclohexene-1-carboxylic Acid Ethyl Ester
Formula: C15H26O7S
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COMPUTED DESCRIPTORS

Molecular Weight 350.4 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 9
Exact Mass 350.13992434 g/mol
Monoisotopic Mass 350.13992434 g/mol
Topological Polar Surface Area 108 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 516
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes