• 
  [Synonyms]
  Adenylyl-(3'-5')ribavirin
  Adenylyl-(3'-5')-virazole
  3'-Adenylic acid, 3'-5'-ester with 1-beta-D-ribofuranosyl-1H-1,2,4-triazole-3-carboxamide
  80948-57-8
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	573.410621 [g/mol]
  Molecular Formula	C18H24N9O11P
  XLogP	-4.9
  H-Bond Donor	7
  H-Bond Acceptor	19
  Rotatable Bond Count	9
  Tautomer Count	6
  Exact Mass	573.133289
  MonoIsotopic Mass	573.133289
  Topological Polar Surface Area	299
  Heavy Atom Count	39
  Formal Charge	0
  Complexity	943
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	8
  Undefined Atom StereoCenter Count	0
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	1

  
  [ Descriptors Computed from Structure]
  IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl
  [(2R,3S,4R,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,
  4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
  Canonical SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OCC4C(C(C(O4)N5C=NC(=N5)C(=O)
  N)O)O)O)O
  Isomeric SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC[C@@H]4
  [C@H]([C@H]([C@@H](O4)N5C=NC(=N5)C(=O)N)O)O)O)O
  InChI: InChI=1/C18H24N9O11P/c19-13-8-16(22-3-21-13)26(4-23-8)17-11(30)9(28)6
  (37-17)1-35-39(33,
  34)36-2-7-10(29)12(31)18(38-7)27-5-24-15(25-27)14(20)32/h3-7,9-12,17-18,
  28-31H,1-2H2,(H2,20,32)(H,33,34)(H2,19,21,22)/t6-,7-,9-,10-,11-,12-,17-,
  18-/m1/s1/f/h33H,19-20H2