Methyl 2,3,4,6-tetra-O-acetyl-beta-D-thiogalactopyranoside (55722-48-0)

The Methyl 2,3,4,6-tetra-O-acetyl-beta-D-thiogalactopyranoside, with the CAS registry number 55722-48-0, is also known as 2,3,4,6-Tetra-o-acetyl-β-D-thiogalactopyranoside and beta-D-Galactopyranoside, methyl 1-thio-, tetraacetate. It belongs to the product categories of Carbohydrates; Carbohydrates M-OBiochemicals and Reagents; Carbohydrates A to and Monosaccharide. The chemical's molecular formula Methyl 2,3,4,6-tetra-O-acetyl-beta-D-thiogalactopyranoside is C₁₅H₂₂O₉S and molecular weight is 378.39. What's more its systematic name is called Methyl 2,3,4,6-tetra-O-acetyl-1-thio-β-D-galactopyranoside.

Physical properties about this chemical are: (1) ACD/LogP: 2.12; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.12; (4) ACD/LogD (pH 7.4): 2.12; (5) ACD/BCF (pH 5.5): 24.22; (6) ACD/BCF (pH 7.4): 24.22; (7) ACD/KOC (pH 5.5): 340.73; (8) ACD/KOC (pH 7.4): 340.73; (9) #H bond acceptors: 9; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 10; (12) Polar Surface Area: 139.73 Å²; (13) Index of Refraction: 1.502; (14) Molar Refractivity: 86.52 cm³; (15) Molar Volume: 292.7 cm³; (16) Surface Tension: 46.8 dyne/cm; (17) Density: 1.29 g/cm³; (18) Flash Point: 206.9 °C; (19) Enthalpy of Vaporization: 69.76 kJ/mol; (20) Boiling Point: 440.5 °C at 760 mmHg; (21) Vapour Pressure: 5.86E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC[C@H]1O[C@@H](SC)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]1OC(=O)C)
(2) InChI: InChI=1/C15H22O9S/c1-7(16)20-6-11-12(21-8(2)17)13(22-9(3)18)14(23-10(4)19)15(24-11)25-5/h11-15H,6H2,1-5H3/t11-,12+,13+,14-,15+/m1/s1
(3) InChIKey: XWFUCHLBRWBKGN-FQKPHLNHBS