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62805-63-4

62805-63-4 structural image
Product Name: Adenosine, N-benzoyl-2'-O-[(2-nitrophenyl)methyl]-, 3'-benzoate (9CI)
Formula: C31H26N6O8
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COMPUTED DESCRIPTORS

Molecular Weight 610.6 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 10
Exact Mass 610.18121181 g/mol
Monoisotopic Mass 610.18121181 g/mol
Topological Polar Surface Area 184 Ų
Heavy Atom Count 45
Formal Charge 0
Complexity 1020
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes