2-Chloro-4-nitrophenyl β-D-Glucopyranoside

CAS	120221-14-9
Structure
Synonyms	(2S,3R,4S,5S,6R)-2-(2-chloro-4-nitrophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC Name	(2S,3R,4S,5S,6R)-2-(2-chloro-4-nitrophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	335.69
Molecular Formula	C12H14ClNO8
Canonical SMILES	C1=CC(=C(C=C1[N+](=O)[O-])Cl)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI	InChI=1S/C12H14ClNO8/c13-6-3-5(14(19)20)1-2-7(6)21-12-11(18)10(17)9(16)8(4-15)22-12/h1-3,8-12,15-18H,4H2/t8-,9-,10+,11-,12-/m1/s1
InChI Key	PJCVBKZRKNFZOD-RMPHRYRLSA-N
Boiling Point	591.2±50.0 °C
Purity	98%
Density	1.675±0.06 g/ml
pKa	12.57±0.70
Appearance	White powder