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130830-60-3

130830-60-3 structural image
Product Name: (2R, 4R)-4-(TOLUENE-4-SULFONYLOXY)-1-[BENZYLOXYCARBONYL]-PYRROLIDINE-2-ETHYLCARBOXYLATE
Formula: C22H25NO7S
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COMPUTED DESCRIPTORS

Molecular Weight 447.5 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 9
Exact Mass 447.13517331 g/mol
Monoisotopic Mass 447.13517331 g/mol
Topological Polar Surface Area 108 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 706
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes