β-D-Glucopyranoside, 3-nitrophenyl

CAS	20838-44-2
Structure
Synonyms	Meta-nitrphenyl-beta-d-glucopyranoside
IUPAC Name	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(3-nitrophenoxy)oxane-3,4,5-triol
Molecular Weight	301.25
Molecular Formula	C12H15NO8
Canonical SMILES	C1=CC(=CC(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-]
InChI	InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-2-6(4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12-/m1/s1
InChI Key	VCCMGHVCRFMITI-RMPHRYRLSA-N
Boiling Point	573.5±50.0 °C
Melting Point	171-172 °C
Purity	98%
Density	1.599±0.06 g/ml
pKa	12.70±0.70
Appearance	Solid