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37339-66-5

37339-66-5 structural image
Product Name: thiopeptin B
Formula: C72H104N18O18S5
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 219 - 222 °C

COMPUTED DESCRIPTORS

Molecular Weight 1669.9 g/mol
XLogP3 -1.1
Hydrogen Bond Donor Count 18
Hydrogen Bond Acceptor Count 32
Rotatable Bond Count 11
Exact Mass 1668.4535249 g/mol
Monoisotopic Mass 1668.4535249 g/mol
Topological Polar Surface Area 710 Ų
Heavy Atom Count 113
Formal Charge 0
Complexity 3850
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 17
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes