4-Nitrophenyl beta-D-glucopyranoside

Catalog	BBC2492877
CAS	2492-87-7
Structure
Synonyms	beta-D-glucopyranoside,4-nitrophenyl
IUPAC Name	(2R,3S,4S,5R,6S)-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-RMPHRYRLSA-N
Boiling Point	582.2ºC at 760 mmHg
Melting Point	165-168 °C
Flash Point	305.9ºC
Purity	98%
Density	1.37 g/ml
Appearance	White to yellow powder
EC Number	219-661-3
pKa	12.55±0.70
Refractive Index	-102.5 ° (C=1, H₂O)
Solubility in Water	Sligthly