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| CAS No.: | 6706-59-8 |
|---|---|
| Name: | L-SORBITOL |
| Article Data: | 32 |
| Molecular Structure: | |
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| Formula: | C6H14O6 |
| Molecular Weight: | 182.174 |
| Synonyms: | Glucitol,L- (8CI);D-Gulitol;L-Sorbitol; |
| Density: | 1.596 g/cm3 |
| Melting Point: | 166-168oC |
| Boiling Point: | 494.9 °C at 760 mmHg |
| Flash Point: | 292.5 °C |
| Solubility: | Soluble in water |
| PSA: | 121.38000 |
| LogP: | -3.58540 |
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Specification
The L-Sorbitol with the CAS number 6706-59-8 is also called Glucitol,L- (8CI). The systematic name is L-glucitol. Its molecular formula is C6H14O6. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the L-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: 55.38 Å2; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 38.89 cm3; (15)Molar Volume: 114.1 cm3; (16)Polarizability: 15.41×10-24cm3; (17)Surface Tension: 99.8 dyne/cm; (18)Enthalpy of Vaporization: 87.81 kJ/mol; (19)Vapour Pressure: 7.22×10-12 mmHg at 25°C.
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-/m0/s1
(3)InChIKey: FBPFZTCFMRRESA-FSIIMWSLBL