1-O-Phenyl-β-D-glucopyranose

CAS	1464-44-4
Structure
Synonyms	Phenyl-β-D-glucopyranoside hydrate
IUPAC Name	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol
Molecular Weight	256.25
Molecular Formula	C12H16O6
Canonical SMILES	C1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI	InChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10+,11-,12-/m1/s1
InChI Key	NEZJDVYDSZTRFS-RMPHRYRLSA-N
Boiling Point	359.49 °C
Melting Point	176-178 °C (lit.)
Purity	98%
Density	1.299 g/ml
Refractive Index	-70.5 ° (C=2, H2O)
pKa	12.70±0.70
Solubility in Water	Slightly
Appearance	White to off-white powder