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45125-00-6

45125-00-6 structural image
Product Name: H-D-GLU(OTBU)-OH
Formula: C9H17NO4
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COMPUTED DESCRIPTORS

Molecular Weight 203.24 g/mol
XLogP3 -2.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 6
Exact Mass 203.11575802 g/mol
Monoisotopic Mass 203.11575802 g/mol
Topological Polar Surface Area 89.6 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 219
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