• 
  [Synonyms]
  NSC678051
  NSC678056
  AIDS161202
  AIDS-161202
  NCI60_027922
  NCI60_027927
  3-Pyridinecarbonitrile, 1,2-dihydro-5,6-dimethyl-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-2-thioxo-
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	494.51484 [g/mol]
  Molecular Formula	C22H26N2O9S
  XLogP	0.3
  H-Bond Donor	0
  H-Bond Acceptor	10
  Rotatable Bond Count	10
  Exact Mass	494.135901
  MonoIsotopic Mass	494.135901
  Topological Polar Surface Area	142
  Heavy Atom Count	34
  Formal Charge	0
  Complexity	1010
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	0
  Undefined Atom StereoCenter Count	5
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	1

  
  [ Descriptors Computed from Structure]
  IUPAC Name: [3,5-diacetyloxy-2-(acetyloxymethyl)-6-(5-cyano-2,
  3-dimethyl-6-sulfanylidenepyridin-1-yl)oxan-4-yl] acetate
  Canonical SMILES: CC1=C(N(C(=S)C(=C1)C#N)C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C
  InChI: InChI=1/C22H26N2O9S/c1-10-7-16(8-23)22(34)24(11(10)2)21-20(32-15(6)28)19
  (31-14(5)27)18(30-13(4)26)17(33-21)9-29-12(3)25/h7,17-21H,9H2,1-6H3