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 |
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