4-Nitrophenyl 4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside

CAS	3482-57-3
Structure
Synonyms	Glcβ(1-4)Glc-β-Pnp
IUPAC Name	(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	463.39
Molecular Formula	C18H25NO13
Canonical SMILES	C1=CC(=CC=C1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
InChI	InChI=1S/C18H25NO13/c20-5-9-11(22)12(23)14(25)18(30-9)32-16-10(6-21)31-17(15(26)13(16)24)29-8-3-1-7(2-4-8)19(27)28/h1-4,9-18,20-26H,5-6H2/t9-,10-,11-,12+,13-,14-,15-,16-,17-,18+/m1/s1
InChI Key	IAYJZWFYUSNIPN-KFRZSCGFSA-N
Boiling Point	795.6±60.0 °C
Melting Point	249-250 °C
Purity	98%
Density	1.70±0.1 g/ml
pKa	12.43±0.70
Appearance	Off-white solid