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2242635-03-4

2242635-03-4 structural image
Product Name: Adenosine, N,N′′-(2E)-2-butene-1,4-diyl-[P(R)]-2′-deoxy-2′-fluoro-5′-O-[(S)-hydroxymercaptophosphinyl]-P-thioadenylyl-(3′→5′)-2′-deoxy-2′-fluoro-, cyclic nucleotide, ammonium salt (1:2)
Formula: C24H29F2N11O8P2S2
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COMPUTED DESCRIPTORS

Molecular Weight 780.7 g/mol
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 22
Rotatable Bond Count 0
Exact Mass 780.13507869 g/mol
Monoisotopic Mass 780.13507869 g/mol
Topological Polar Surface Area 239 Ų
Heavy Atom Count 50
Formal Charge 0
Complexity 1330
Isotope Atom Count 0
Defined Atom Stereocenter Count 8
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 3
Compound Is Canonicalized Yes