D-Sorbitol (98201-93-5)

The CAS register number of D-Sorbitol is 98201-93-5. It also can be called as D-1,2,3,4,5,6-Hexanehexol and the IUPAC name about this chemical is (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol.

Physical properties about D-Sorbitol are: (1)ACD/LogP: -4.67; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.67; (4)ACD/LogD (pH 7.4): -4.67; (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: 6; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 55.38Ų; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 38.89 cm³; (15)Molar Volume: 114.1 cm³; (16)Polarizability: 15.41x10^-24cm³; (17)Surface Tension: 99.8 dyne/cm; (18)Enthalpy of Vaporization: 87.81 kJ/mol; (19)Boiling Point: 494.9 °C at 760 mmHg; (20)Vapour Pressure: 7.22E-12 mmHg at 25°C.

D-Sorbitol is a polyhydric alcohol with about half the sweetness of sucrose. Sorbitol occurs naturally and is also produced synthetically from glucose. It was formerly used as a diuretic and may still be used as a laxative and in irrigating solutions for some surgical procedures. It is also used in many manufacturing processes, as a pharmaceutical aid, and in several research applications.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@H]([C@@H](O)CO)[C@H](O)[C@H](O)CO
(2)InChI: InChI=1/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1
(3)InChIKey: FBPFZTCFMRRESA-JGWLITMVBN
(4)Std. InChI: InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1
(5)Std. InChIKey: FBPFZTCFMRRESA-JGWLITMVSA-N

The toxicity data is as follows: