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96922-80-4

96922-80-4 structural image
Product Name: Pantenicate
Formula: C62H78N8O20S2
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COMPUTED DESCRIPTORS

Molecular Weight 1319.5 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 26
Rotatable Bond Count 51
Exact Mass 1318.47737925 g/mol
Monoisotopic Mass 1318.47737925 g/mol
Topological Polar Surface Area 429 Ų
Heavy Atom Count 92
Formal Charge 0
Complexity 2210
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes