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80228-05-3

Product Name: Adenosine, thymidylyl-(3'→5')-2'-deoxy-6-O-methylguanylyl-(3'→5')-2'-deoxycytidylyl-(3'→5')-2'-deoxy- (9CI)
Formula: C40H52N15O22P3
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COMPUTED DESCRIPTORS

Molecular Weight 1187.8 g/mol
XLogP3 -6.7
Hydrogen Bond Donor Count 9
Hydrogen Bond Acceptor Count 30
Rotatable Bond Count 21
Exact Mass 1187.26241934 g/mol
Monoisotopic Mass 1187.26241934 g/mol
Topological Polar Surface Area 501 Ų
Heavy Atom Count 80
Formal Charge 0
Complexity 2550
Isotope Atom Count 0
Defined Atom Stereocenter Count 10
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes