β-D-Glucopyranoside, phenyl 1-thio-2,3,4,6-tetraacetate

Catalog	BBC23661281
CAS	23661-28-1
Structure
Synonyms	Phenyl 2,3,4,6-tetra-O-acetyl-β-D-thioglucopyranoside
IUPAC Name	[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-phenylsulfanyloxan-2-yl]methyl acetate
Molecular Weight	440.46
Molecular Formula	C20H24O9S
Canonical SMILES	CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SC2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C
InChI	InChI=1S/C20H24O9S/c1-11(21)25-10-16-17(26-12(2)22)18(27-13(3)23)19(28-14(4)24)20(29-16)30-15-8-6-5-7-9-15/h5-9,16-20H,10H2,1-4H3/t16-,17-,18+,19-,20+/m1/s1
InChI Key	JCKOUAWEMPKIAT-OBKDMQGPSA-N
Boiling Point	514.6±50.0 °C
Melting Point	116-119 °C (lit.)
Purity	98%
Density	1.31±0.1 g/ml
Appearance	White to off-white solid