Cas no 65259-76-9 (Adenosine,8-[[2-[(chloroacetyl)amino]ethyl]thio]-, cyclic 3',5'-(hydrogen phosphate)(9CI))

Adenosine,8-[[2-[(chloroacetyl)amino]ethyl]thio]-, cyclic 3',5'-(hydrogen phosphate)(9CI) structure
65259-76-9 structure
Product Name:Adenosine,8-[[2-[(chloroacetyl)amino]ethyl]thio]-, cyclic 3',5'-(hydrogen phosphate)(9CI)
CAS No:65259-76-9
MF:C14H18ClN6O8PS
MW:496.819880962372
CID:507885
Update Time:2026-04-29

Adenosine,8-[[2-[(chloroacetyl)amino]ethyl]thio]-, cyclic 3',5'-(hydrogen phosphate)(9CI) Chemical and Physical Properties

Names and Identifiers

    • Adenosine,8-[[2-[(chloroacetyl)amino]ethyl]thio]-, cyclic 3',5'-(hydrogen phosphate)(9CI)
    • [(2R,3S,4R,5R)-5-[6-amino-8-[(E)-2-[(2-chloroacetyl)amino]ethenyl]sulfanylpurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
    • 8-(chloroacetylaminoethylthio)cyclic AMP

Computed Properties

  • Exact Mass: 496.03354
  • Monoisotopic Mass: 496.033296
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 8
  • Complexity: 720
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: _2.7
  • Topological Polar Surface Area: 241

Experimental Properties

  • Density: 2.07
  • Refractive Index: 1.824
  • PSA: 215.17
  • LogP: 0.47680
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