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Home> Encyclopedia > Hot Product Listed 5   > 5'-Adenylic acid,P'-anhydride with thiodiphosphoric acid ((HO)2P(O)OP(S)(OH)2)
58296-58-5 structure

5'-Adenylic acid,P'-anhydride with thiodiphosphoric acid ((HO)2P(O)OP(S)(OH)2)

Iupac Name:2-cyanoguanidine hydrochloride
CAS No.:58296-58-5
Molecular Weight:120.5409
Molecular Formula:C25H29N9O9S2 (isomer)
Names and Identifiers
Synonyms

Adenosine5'-O-(2-thio)triphosphate ATP-b-S

Inchi
InChI=1/C2H4N4.ClH/c3-1-6-2(4)5;/h(H4,4,5,6);1H
Canonical Smiles
C(#N)N=C(N)N.Cl
Properties
Density
0.871
Flash Point
519°C
Computational chemical data
  • Molecular Weight:120.5409g/mol
  • Molecular Formula:C25H29N9O9S2
  • Exact Mass:120.020274
  • Monoisotopic Mass:120.020274
  • Complexity:100
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:88.2
  • Heavy Atom Count:7
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
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