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70686-88-3

70686-88-3 structural image
Product Name: ribonuclease S-peptide (1-14), 12-(beta-(3-pyridyl)-Ala)-
Formula: C72H113N21O23S
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COMPUTED DESCRIPTORS

Molecular Weight 1640.8 g/mol
XLogP3 -13.1
Hydrogen Bond Donor Count 24
Hydrogen Bond Acceptor Count 28
Rotatable Bond Count 56
Exact Mass 1639.83181894 g/mol
Monoisotopic Mass 1639.83181894 g/mol
Topological Polar Surface Area 746 Ų
Heavy Atom Count 116
Formal Charge 0
Complexity 3360
Isotope Atom Count 0
Defined Atom Stereocenter Count 15
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes