4-Nitrophenyl alpha-D-glucuronide

• CAS: 71484-85-0
• Catalog Number: ACM71484850
• Category: Other Products
• Molecular Weight: 315.23
• Molecular Formula: C12H13NO9
• Synonyms: 4-Nitrophenyl alpha-D-glucopyranosiduronic acid
• IUPAC Name: (2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(4-nitrophenoxy)oxane-2-carboxylic acid
• Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])O[C@@H]2[C@H]([C@H]([C@@H]([C@@H](O2)C(=O)O)O)O)O
• InChI: InChI=1S/C12H13NO9/c14-7-8(15)10(11(17)18)22-12(9(7)16)21-6-3-1-5(2-4-6)13(19)20/h1-4,7-10,12,14-16H,(H,17,18)/t7-,8-,9-,10+,12-/m0/s1
• InChI Key: QSUILVWOWLUOEU-GBVMLCMLSA-N
• Boiling Point: 644.4±55.0 °C
• Flash Point: 343.541ºC
• Density: 1.731±0.06 g/ml
• Appearance: Solid
• Exact Mass: 315.05900
• H-Bond Acceptor: 9
• H-Bond Donor: 4
• pKa: 2.69±0.70