D-Glucitol, 4-O-b-D-galactopyranosyl- (585-86-4)

The Lactitol, with the CAS registry number 585-86-4, is also known as 4-O-beta-D-Galactopyranosyl-D-glucitol. Its EINECS registry number is 209-566-5. Its IUPAC name and systematic name are the same which is called (2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol. This chemical's classification codes are Cathartics; Flavoring Agents; Food Additives; Gastrointestinal Agents; Sweetening Agents which is white crystalline powder. Lactitol, which produced by two manufacturers, Danisco and Purac Biochem, is a sugar alcohol used as a replacement bulk sweetener for low calorie foods with approximately 40% of the sweetness of sugar.

Physical properties about this chemical are: (1)ACD/LogP: -5.14; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -5.14; (4)ACD/LogD (pH 7.4): -5.14; (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: 9; (11)#Freely Rotating Bonds: 17; (12)Index of Refraction: 1.634; (13)Molar Refractivity: 72.66 cm³; (14)Molar Volume: 203.1 cm³; (15)Surface Tension: 109.2 dyne/cm; (16)Density: 1.69 g/cm³; (17)Flash Point: 430.7 °C; (18)Enthalpy of Vaporization: 130.71 kJ/mol; (19)Boiling Point: 788.5 °C at 760 mmHg; (20)Vapour Pressure: 9.8E-29 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C1C(C(C(C(O1)OC(C(CO)O)C(C(CO)O)O)O)O)O)O
(2)Isomeric SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](CO)O)O)O)O)O)O
(3)InChI: InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2/t4-,5+,6+,7+,8+,9-,10+,11+,12+/m0/s1
(4)InChIKey: VQHSOMBJVWLPSR-WUJBLJFYSA-N