2,3,4,6-Tetra-O-acetyl-β-D-glucopyranosyl isothiocyanate

Catalog	BBC14152977
CAS	14152-97-7
Structure
Synonyms	1-Isothiocyanato-1-deoxy-β-D-glucopyranose 2,3,4,6-tetraacetate
IUPAC Name	[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-isothiocyanatooxan-2-yl]methyl acetate
Molecular Weight	389.08
Molecular Formula	C15H19NO9S
Canonical SMILES	CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N=C=S)OC(=O)C)OC(=O)C)OC(=O)C
InChI	InChI=1S/C15H19NO9S/c1-7(17)21-5-11-12(22-8(2)18)13(23-9(3)19)14(24-10(4)20)15(25-11)16-6-26/h11-15H,5H2,1-4H3/t11-,12-,13+,14-,15-/m1/s1
InChI Key	WOWNQYXIQWQJRJ-UXXRCYHCSA-N
Boiling Point	469.7±45.0 °C
Melting Point	112-114 °C
Purity	98%
Density	1.40±0.1 g/ml
Appearance	White powder