4-Nitrophenylb-D-mannopyranoside

CAS	35599-02-1
Structure
Synonyms	p-Nitrophenyl β-D-mannopyranoside
IUPAC Name	(2R,3S,4S,5S,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-LDMBFOFVSA-N
Boiling Point	582.2±50.0 °C
Melting Point	207-209 °C
Purity	98%
Density	1.599±0.06 g/ml
pKa	12.55±0.70
Appearance	White to off-white olid