The β-D-Glucopyranose,1,2,3,4-tetraacetate, with CAS registry number 13100-46-4, belongs to the following product categories: (1)Sugars, Carbohydrates & Glucosides; (2)Carbohydrate Synthesis; (3)Monosaccharides; (4)Specialty Synthesis; (5)Carbohydrates. It has the systematic name of 1,2,3,4-tetra-O-acetylhexopyranose. And the chemical formula of this chemical is C14H20O10. What's more, its EINECS is 236-018-2.
Physical properties of β-D-Glucopyranose,1,2,3,4-tetraacetate: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 10; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 10; (6)Polar Surface Area: 123.66 Å2; (7)Index of Refraction: 1.491; (8)Molar Refractivity: 75.41 cm3; (9)Molar Volume: 260 cm3; (10)Polarizability: 29.89×10-24cm3; (11)Surface Tension: 49.6 dyne/cm; (12)Density: 1.33 g/cm3; (13)Flash Point: 145.6 °C; (14)Enthalpy of Vaporization: 77.62 kJ/mol; (15)Boiling Point: 418.4 °C at 760 mmHg; (16)Vapour Pressure: 9.44E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)CO)C
(2)InChI: InChI=1/C14H20O10/c1-6(16)20-11-10(5-15)24-14(23-9(4)19)13(22-8(3)18)12(11)21-7(2)17/h10-15H,5H2,1-4H3
(3)InChIKey: FEQXFAYSNRWXDW-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C14H20O10/c1-6(16)20-11-10(5-15)24-14(23-9(4)19)13(22-8(3)18)12(11)21-7(2)17/h10-15H,5H2,1-4H3
(5)Std. InChIKey: FEQXFAYSNRWXDW-UHFFFAOYSA-N
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