Benzoyl β-D-glucopyranoside

Catalog	BBC21056520
CAS	21056-52-0
Structure
Synonyms	1-O-Benzoyl-b-D-glucose
IUPAC Name	[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] benzoate
Molecular Weight	284.26
Molecular Formula	C13H16O7
Canonical SMILES	C1=CC=C(C=C1)C(=O)OC2C(C(C(C(O2)CO)O)O)O
InChI	InChI=1S/C13H16O7/c14-6-8-9(15)10(16)11(17)13(19-8)20-12(18)7-4-2-1-3-5-7/h1-5,8-11,13-17H,6H2
InChI Key	LVFCLUMIBMHAFL-UHFFFAOYSA-N
Boiling Point	507.1±50.0 °C
Melting Point	193 °C
Purity	98%
Density	1.50±0.1 g/ml
Appearance	Solid