Phenprocoumon Glucuronide

• Synonyms :

  2-Oxo-3-(1-phenylpropyl)-2H-1-benzopyran-4-yl-β-D-glucopyranosiduronic Acid;

• Hazard Statement :

  Toxic if swallowed; UN number: UN1544; Packing Group: III

• Smiles :

  CCC(C1=CC=CC=C1)C(C(OC2=CC=CC=C23)=O)=C3O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)C(O)=O

• Molecular Formula :

  C24H24O9

• Molecular Weight :

  456.45

• InChI :

  InChI=1S/C24H24O9/c1-2-13(12-8-4-3-5-9-12)16-20(14-10-6-7-11-15(14)31-23(16)30)32-24-19(27)17(25)18(26)21(33-24)22(28)29/h3-11,13,17-19,21,24-27H,2H2,1H3,(H,28,29)/t13?,17-,18-,19+,21-,24+/m0/s1

• Additionnal Information :

  IUPAC name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((2-oxo-3-(1-phenylpropyl)-2H-chromen-4-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid

• Shipping Conditions :

  Room Temperature

• CAS Number :

  60002-13-3