LACTITOL MONOHYDRATE

The Lactitol monohydrate is an organic compound with the formula C₁₂H₂₆O₁₂. The IUPAC name of this chemical is (2S,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol hydrate. With the CAS registry number 81025-04-9, it is also named as D-glucitol, 4-O-β-D-galactopyranosyl-, hydrate (1:1) . The product's categories are Sugars; Carbohydrates & Glucosides. Besides, it should be stored in a closed cool and dry place. When you are using it, avoid contact with skin and eyes.

Physical properties about Lactitol monohydrate 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)Polar Surface Area: 101.53 Å²; (13)Flash Point: 430.7 °C; (14)Enthalpy of Vaporization: 130.71 kJ/mol; (15)Boiling Point: 788.5 °C at 760 mmHg; (16)Vapour Pressure: 9.8E-29 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O([C@@H]([C@H](O)[C@@H](O)CO)[C@H](O)CO)[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)CO.O
(2)InChI: InChI=1/C12H24O11.H2O/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;1H2/t4-,5+,6+,7+,8-,9-,10+,11+,12-;/m0./s1
(3)InChIKey: LXMBXZRLTPSWCR-XBLONOLSBJ
(4)Std. InChI: InChI=1S/C12H24O11.H2O/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;1H2/t4-,5+,6+,7+,8-,9-,10+,11+,12-;/m0./s1
(5)Std. InChIKey: LXMBXZRLTPSWCR-XBLONOLSSA-N

The toxicity data is as follows: