Palatinose

The Palatinose is an organic compound with the formula C₁₂H₂₂O₁₁. The IUPAC name of this chemical is (2R,4S,6S)-2-(hydroxymethyl)-6-[[(2R,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy]oxane-3,4,5-triol. With the CAS registry number 58166-27-1, it is also named as 6-O-α-D-glucopyranosyl-α-D-fructofuranose. Besides, it is a white to light yellow fine crystalline powder, which should be stored in a closed cool and dry place.

Physical properties about Palatinose are: (1)ACD/LogP: -3.15; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -3.15; (4)ACD/LogD (pH 7.4): -3.15; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 11; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 101.53 Å²; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 70.85 cm³; (15)Molar Volume: 192.8 cm³; (16)Polarizability: 28.09×10^-24cm³; (17)Surface Tension: 113 dyne/cm; (18)Density: 1.77 g/cm³; (19)Flash Point: 367.5 °C; (20)Enthalpy of Vaporization: 114.77 kJ/mol; (21)Boiling Point: 684.1 °C at 760 mmHg; (22)Vapour Pressure: 1.14E-21 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@H]1[C@H](O)[C@H](O[C@@]1(O)CO)CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O
(2)InChI: InChI=1/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11+,12+/m1/s1
(3)InChIKey: PVXPPJIGRGXGCY-DJHAAKORBO
(4)Std. InChI: InChI=1S/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11+,12+/m1/s1
(5)Std. InChIKey: PVXPPJIGRGXGCY-DJHAAKORSA-N