1,6-Anhydro-4-O-alpha-D-glucopyranosyl-D-glucopyranose

The CAS register number of 1,6-Anhydro-4-O-alpha-D-glucopyranosyl-D-glucopyranose is 2672-63-1. It also can be called as Glucopyranose,1,6-anhydro-4-O-a-D-glucopyranosyl-,D- (8CI) and the systematic name about this chemical is (2R,3R,4S,5S,6R)-2-[[(1R,2S,3R,4R)-3,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol. The molecular formula about this chemical is C₁₂H₂₀O₁₀ and the molecular weight is 324.28.

Physical properties about 1,6-Anhydro-4-O-alpha-D-glucopyranosyl-D-glucopyranose are: (1)# of Rule of 5 Violations: 2; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 10; (7)#H bond donors: 6; (8)#Freely Rotating Bonds: 9; (9)Polar Surface Area: 158.3Ų; (10)Index of Refraction: 1.644; (11)Molar Refractivity: 67.43 cm³; (12)Molar Volume: 186.2 cm³; (13)Polarizability: 26.73x10^-24cm³; (14)Surface Tension: 97.5 dyne/cm; (15)Enthalpy of Vaporization: 108.31 kJ/mol; (16)Boiling Point: 640.3 °C at 760 mmHg; (17)Vapour Pressure: 4.29E-19 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C1[C@@H]2[C@H]([C@@H]([C@H](C(O1)O2)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
(2)InChI: InChI=1/C12H20O10/c13-1-3-5(14)6(15)8(17)12(20-3)22-10-4-2-19-11(21-4)9(18)7(10)16/h3-18H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11?,12-/m1/s1
(3)InChIKey: LTYZUJSCZCPGHH-PICCSMPSBC
(4)Std. InChI: InChI=1S/C12H20O10/c13-1-3-5(14)6(15)8(17)12(20-3)22-10-4-2-19-11(21-4)9(18)7(10)16/h3-18H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11?,12-/m1/s1
(5)Std. InChIKey: LTYZUJSCZCPGHH-PICCSMPSSA-N