2-ACETAMIDO-4,6-O-BENZYLIDENE-2-DEOXY-D-GLUCOPYRANOSE

The D-Glucopyranose,2-(acetylamino)-2-deoxy-4,6-O-(phenylmethylene)-, with the CAS registry number 29776-43-0, is also known as 2-Acetamido-4,6-O-benzylidene-2-Deoxy-D-glucopyranose. It belongs to the product categories of 13C & 2H Sugars; Carbohydrates & Derivatives. This chemical's molecular formula is C₁₅H₁₉NO₆ and molecular weight is 309.31. Its systematic name is called N-[(4αR,7R,8R,8αS)-6,8-dihydroxy-2-phenyl-4,4α,6,7,8,8α-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide. This chemical is a useful synthetic intermediate for carbohydrate chemistry. The methylation of this compound is a convenient method for the preparation of pure methyl alpha- and beta-glycosides of D-glucosamine.

Physical properties of D-Glucopyranose,2-(acetylamino)-2-deoxy-4,6-O-(phenylmethylene)-: (1)ACD/LogP: 1.05; (2)ACD/LogD (pH 5.5): 1.049; (3)ACD/LogD (pH 7.4): 1.049; (4)ACD/BCF (pH 5.5): 3.692; (5)ACD/BCF (pH 7.4): 3.692; (6)ACD/KOC (pH 5.5): 88.653; (7)ACD/KOC (pH 7.4): 88.65; (8)#H bond acceptors: 7; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.603; (12)Molar Refractivity: 76.27 cm³; (13)Molar Volume: 221.949 cm³; (14)Surface Tension: 61.487 dyne/cm; (15)Density: 1.394 g/cm³; (16)Flash Point: 330.889 °C; (17)Enthalpy of Vaporization: 97.078 kJ/mol; (18)Boiling Point: 623.514 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)c3ccccc3)OC1O)O
(2)InChI: InChI=1/C15H19NO6/c1-8(17)16-11-12(18)13-10(21-14(11)19)7-20-15(22-13)9-5-3-2-4-6-9/h2-6,10-15,18-19H,7H2,1H3,(H,16,17)/t10-,11-,12-,13-,14?,15?/m1/s1
(3)InChIKey: OIXDAEIOQFFRMF-SNNRFPGIBH