2-(Hydroxymethyl)phenyl-beta-D-glucopyranoside

Catalog	BBC138523
CAS	138-52-3
Structure
Synonyms	D-(-)-Salicin
IUPAC Name	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
Molecular Weight	286.28
Molecular Formula	C13H18O7
Canonical SMILES	C1=CC=C(C(=C1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI	InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1
InChI Key	NGFMICBWJRZIBI-UJPOAAIJSA-N
Boiling Point	388.65 °C
Melting Point	196-202 °C
Purity	98%
Density	1.43 g/ml
Appearance	White powder
pKa	12.80±0.70
Solubility in Water	36 g/L