p-Nitrophenyl-3-D-cellotrioside

CAS	106927-48-4
Structure
Synonyms	4-Nitrophenyl β-D-cellotrioside
IUPAC Name	2-[6-[4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	625.53
Molecular Formula	C24H35NO18
Canonical SMILES	C1=CC(=CC=C1[N+](=O)[O-])OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O
InChI	InChI=1S/C24H35NO18/c26-5-10-13(29)14(30)17(33)23(39-10)42-21-12(7-28)41-24(19(35)16(21)32)43-20-11(6-27)40-22(18(34)15(20)31)38-9-3-1-8(2-4-9)25(36)37/h1-4,10-24,26-35H,5-7H2
InChI Key	BETIRLUWOMCBBJ-UHFFFAOYSA-N
Boiling Point	971.0±65.0 °C
Melting Point	246-248 °C
Purity	98%
Density	1.75±0.1 g/ml
pKa	12.43±0.70
Solubility in Water	Slightly
Appearance	White to pale yellow solid