4-Nitrophenyl-β-D-glucuronide

CAS	10344-94-2
Structure
Synonyms	p-Nitrophenyl β-Glucuronic Acid
IUPAC Name	(2S,3S,4S,5R,6S)-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-GOVZDWNOSA-N
Melting Point	93 °C
Purity	98%
Density	1.731±0.06 g/ml
pKa	2.69±0.70
Appearance	Liquid