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20994-83-6

20994-83-6 structural image
Product Name: CAERULEIN (DESULFATED)
Formula: C58H73N13O18S
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COMPUTED DESCRIPTORS

Molecular Weight 1272.3 g/mol
XLogP3 -2.4
Hydrogen Bond Donor Count 17
Hydrogen Bond Acceptor Count 19
Rotatable Bond Count 36
Exact Mass 1271.49172370 g/mol
Monoisotopic Mass 1271.49172370 g/mol
Topological Polar Surface Area 533 Ų
Heavy Atom Count 90
Formal Charge 0
Complexity 2570
Isotope Atom Count 0
Defined Atom Stereocenter Count 10
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes