2-Nitrophenyl beta-D-glucuronide

Catalog	BBC137629368
CAS	137629-36-8
Structure
Synonyms	2-Nitrophenyl β-D-glucuronide potassium salt
IUPAC Name	(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-nitrophenoxy)oxane-2-carboxylic acid
Molecular Weight	353.35
Molecular Formula	C12H12KNO9
Canonical SMILES	C1=CC=C(C(=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)21-6-4-2-1-3-5(6)13(19)20/h1-4,7-10,12,14-16H,(H,17,18)/t7-,8-,9+,10-,12+/m0/s1
InChI Key	UADVJQJTJSOJOQ-GOVZDWNOSA-N
Melting Point	230-235 °C
Purity	98%
Appearance	Light-yellow solid