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125942-79-2

125942-79-2 structural image
Product Name: BOC-3-IODO-D-ALANINE BENZYL ESTER
Formula: C15H20INO4
Synonyms: N-(tert-Butoxycarbonyl)-3-iodo-D-alanine benzyl ester;Boc-3-iodo-D-alanine benzyl ester
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COMPUTED DESCRIPTORS

Molecular Weight 405.23 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 8
Exact Mass 405.04371 g/mol
Monoisotopic Mass 405.04371 g/mol
Topological Polar Surface Area 64.6 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 348
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