2-Nitrophenyl β-D-glucopyranoside

Catalog	BBC2816242
CAS	2816-24-2
Structure
Synonyms	β-D-Glucopyranoside, 2-nitrophenyl
IUPAC Name	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-nitrophenoxy)oxane-3,4,5-triol
Molecular Weight	301.25
Molecular Formula	C12H15NO8
Canonical SMILES	C1=CC=C(C(=C1)[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI	InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-4-2-1-3-6(7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12-/m1/s1
InChI Key	KUWPCJHYPSUOFW-RMPHRYRLSA-N
Melting Point	141-142 °C
Purity	98%
Density	1.599±0.06 g/ml
Appearance	Light-yellow powder
pKa	12.69±0.70
Solubility in Water	Soluble