4-Nitrophenyl alpha-D-glucuronide

Catalog	BBC71484850
CAS	71484-85-0
Structure
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
Molecular Weight	315.23
Molecular Formula	C12H13NO9
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
Purity	98%
Density	1.731±0.06 g/ml
Appearance	Solid
pKa	2.69±0.70