4-Nitrophenyl α-D-galacto-pyran-oside

CAS	7493-95-0
Structure
Synonyms	p-Nitrophenyl--D-galactoyranoside
IUPAC Name	(2R,3R,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-IIRVCBMXSA-N
Melting Point	166-169 °C
Purity	98%
Density	1.599±0.06 g/ml
Refractive Index	239 ° (C=1, H2O)
pKa	12.55±0.70
Solubility in Water	Sligthly
Appearance	White to off-white solid