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2055046-12-1

2055046-12-1 structural image
Product Name: Trisulfo-Cy5.5-Alkyne
Formula: C44H47N3O13S4
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COMPUTED DESCRIPTORS

Molecular Weight 954.1 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 14
Rotatable Bond Count 14
Exact Mass 953.19917326 g/mol
Monoisotopic Mass 953.19917326 g/mol
Topological Polar Surface Area 289 Ų
Heavy Atom Count 64
Formal Charge 0
Complexity 2400
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 3
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes