The 1,6-Anhydro-4-O-(2,3,4,6-tetra-O-acetyl-a-D-mannopyranosyl)--D-mannopyranose has CAS registry number 67650-35-5. It belongs to the product categories of Carbohydrates & Derivatives; Oligosaccharides. This chemical's molecular formula is C20H28O14 and molecular weight is 492.43. What's more, its systematic name is [4,5-diacetoxy-2-(acetoxymethyl)-6-[(3,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl)oxy]tetrahydropyran-3-yl] acetate.
Physical properties of 1,6-Anhydro-4-O-(2,3,4,6-tetra-O-acetyl-a-D-mannopyranosyl)--D-mannopyranose are: (1)ACD/LogP: 0.68; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.68; (4)ACD/LogD (pH 7.4): 0.68; (5)#H bond acceptors: 14; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 13; (8)Polar Surface Area: 182.58 Å2; (9)Index of Refraction: 1.538; (10)Molar Refractivity: 105.76 cm3; (11)Molar Volume: 337.7 cm3; (12)Polarizability: 41.93×10-24cm3; (13)Surface Tension: 59.9 dyne/cm; (14)Density: 1.45 g/cm3; (15)Flash Point: 202.2 °C; (16)Enthalpy of Vaporization: 102.44 kJ/mol; (17)Boiling Point: 599.8 °C at 760 mmHg; (18)Vapour Pressure: 6.93E-17 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)OCC1C(C(C(C(O1)OC2C3COC(O3)C(C2O)O)OC(=O)C)OC(=O)C)OC(=O)C
(2)Std. InChI: InChI=1S/C20H28O14/c1-7(21)27-5-12-16(29-8(2)22)17(30-9(3)23)18(31-10(4)24)20(33-12)34-15-11-6-28-19(32-11)14(26)13(15)25/h11-20,25-26H,5-6H2,1-4H3
(3)Std. InChIKey: BLYGWFGOYKRANK-UHFFFAOYSA-N
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