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22342-46-7

22342-46-7 structural image
Product Name: (2S,3S,4R)-CIS-5-(3,4-DIAMINOTETRAHYDRO-2-THIENYL)VALERIC ACID
Formula: C9H18N2O2S
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COMPUTED DESCRIPTORS

Molecular Weight 218.32 g/mol
XLogP3 -2.7
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 218.10889899 g/mol
Monoisotopic Mass 218.10889899 g/mol
Topological Polar Surface Area 115 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 201
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