2-Phenylethyl 1-Thio-β-D-thiogalactoside

CAS	63407-54-5
Structure
Synonyms	Phenylethyl β-D-thiogalactopyranoside
IUPAC Name	(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-phenylethylsulfanyl)oxane-3,4,5-triol
Molecular Weight	300.37
Molecular Formula	C14H20O5S
Canonical SMILES	C1=CC=C(C=C1)CCS[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
InChI	InChI=1S/C14H20O5S/c15-8-10-11(16)12(17)13(18)14(19-10)20-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11+,12+,13-,14+/m1/s1
InChI Key	ZNAMMSOYKPMPGC-HTOAHKCRSA-N
Boiling Point	539.7±50.0 °C
Melting Point	100 °C
Purity	98%
Density	1.39±0.1 g/ml
pKa	12.99±0.70
Appearance	White powder