3-Indoxyl-beta-D-glucopyranoside

Catalog	BBC487605
CAS	487-60-5
Structure
Synonyms	1H-Indol-3-yl β-D-glucopyranoside
IUPAC Name	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxane-3,4,5-triol
Molecular Weight	295.29
Molecular Formula	C14H17NO6
Canonical SMILES	C1=CC=C2C(=C1)C(=CN2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI	InChI=1S/C14H17NO6/c16-6-10-11(17)12(18)13(19)14(21-10)20-9-5-15-8-4-2-1-3-7(8)9/h1-5,10-19H,6H2/t10-,11-,12+,13-,14-/m1/s1
InChI Key	XVARCVCWNFACQC-RKQHYHRCSA-N
Boiling Point	606.7±55.0 °C
Melting Point	57-58 °C
Purity	98%
Density	1.562±0.06 g/ml
Appearance	White to pale grey solid
pKa	12.92±0.70