4-Nitrophenylalpha-glucoside

Catalog	BBC3767280
CAS	3767-28-0
Structure
Synonyms	a-D-Glucopyranoside, 4-nitrophenyl
IUPAC Name	(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol
Molecular Weight	301.25
Molecular Formula	C12H15NO8
Canonical SMILES	C1=CC(=CC=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)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12+/m1/s1
InChI Key	IFBHRQDFSNCLOZ-ZIQFBCGOSA-N
Melting Point	210-216 °C
Purity	98%
Density	1.37 g/ml
Appearance	Off-white to light-yellow powder
pKa	12.55±0.70
Refractive Index	218.5 ° (C=0.5, H2O)