• 
  [Synonyms]
  90720-07-3
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	516.45086 [g/mol]
  Molecular Formula	C25H24O12
  XLogP	2.9
  H-Bond Donor	1
  H-Bond Acceptor	12
  Rotatable Bond Count	12
  Exact Mass	516.126776
  MonoIsotopic Mass	516.126776
  Topological Polar Surface Area	161
  Heavy Atom Count	37
  Formal Charge	0
  Complexity	851
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	4
  Undefined Atom StereoCenter Count	1
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	1

  
  [ Descriptors Computed from Structure]
  IUPAC Name: (2S,3S,4S,5R)-3,4,
  5-triacetyloxy-6-[3-(phenoxy)benzoyl]oxyoxane-2-carboxylic acid
  Canonical SMILES: CC(=O)OC1C(C(OC(C1OC(=O)C)OC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)O)OC(=O)C
  Isomeric SMILES: CC(=O)O[C@H]1[C@@H]([C@H](OC([C@@H]1OC(=O)C)OC(=O)C2=CC(=CC=C2)OC3=CC=
  CC=C3)C(=O)O)OC(=O)C
  InChI: InChI=1/C25H24O12/c1-13(26)32-19-20(33-14(2)27)22(34-15(3)28)25(36-21
  (19)23(29)30)37-24(31)16-8-7-11-18(12-16)35-17-9-5-4-6-10-17/h4-12,
  19-22,25H,1-3H3,(H,29,30)/t19-,20-,21-,22+,25?/m0/s1/f/h29H