1,2,4,6-Tetra-O-acetyl-3-deoxy-D-glucopyranose (5040-09-5)

The 1,2,4,6-Tetra-O-acetyl-3-deoxy-D-glucopyranose, with CAS registry number of 5040-09-5, has the systematic name of 1,2,4,6-tetra-O-acetyl-3-deoxyhexopyranose.

Physical properties about this chemical are: (1)ACD/LogP: 0.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.82; (4)ACD/LogD (pH 7.4): 0.82; (5)ACD/BCF (pH 5.5): 2.46; (6)ACD/BCF (pH 7.4): 2.46; (7)ACD/KOC (pH 5.5): 66.31; (8)ACD/KOC (pH 7.4): 66.31; (9)#H bond acceptors: 9; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 114.43 Å²; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 73.9 cm³; (15)Molar Volume: 262.1 cm³; (16)Polarizability: 29.29×10^-24cm³; (17)Surface Tension: 44.1 dyne/cm; (18)Enthalpy of Vaporization: 65.21 kJ/mol; (19)Vapour Pressure: 1.21E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC1OC(C(OC(=O)C)CC1OC(=O)C)COC(=O)C)C
(2)InChI: InChI=1/C14H20O9/c1-7(15)19-6-13-11(20-8(2)16)5-12(21-9(3)17)14(23-13)22-10(4)18/h11-14H,5-6H2,1-4H3
(3)InChIKey: TWQVUVQFUFLAHX-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C14H20O9/c1-7(15)19-6-13-11(20-8(2)16)5-12(21-9(3)17)14(23-13)22-10(4)18/h11-14H,5-6H2,1-4H3
(5)Std. InChIKey: TWQVUVQFUFLAHX-UHFFFAOYSA-N