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| CAS No.: | 551-72-4 |
|---|---|
| Name: | L-(-)-CHIRO-INOSITOL |
| Molecular Structure: | |
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|
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| Formula: | C6H12O6 |
| Molecular Weight: | 180.158 |
| Synonyms: | Inositol,L-chiro- (8CI);Cyclohexane-1,2,3,4,5,6-hexol; |
| EINECS: | 209-000-7 |
| Density: | 2.039 g/cm3 |
| Melting Point: | 230 °C(lit.) |
| Boiling Point: | 291.326 °C at 760 mmHg |
| Flash Point: | 143.387 °C |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 26-36 |
| PSA: | 121.38000 |
| LogP: | -3.83460 |
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Specification
The L-Chiro-Inositol, with the CAS registry number 551-72-4, is also known as Inositol, chiro-. Its EINECS number is 209-000-7. It belongs to the product categories of Miscellaneous Natural Products; Biochemistry; Sugars; Vitamin Related Compounds; Vitamins; Carbohydrate Synthesis; Monosaccharides; Specialty Synthesis. This chemical's molecular formula is C6H12O6 and molecular weight is 180.16. What's more, its IUPAC name is Cyclohexane-1,2,3,4,5,6-hexol. It should be sealed and stored in a cool and dry place.
Physical properties of L-Chiro-Inositol are: (1)ACD/LogP: -3.86; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2; (8)ACD/KOC (pH 7.4): 2; (9)#H bond acceptors: 6; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 121.38 Å2; (13)Index of Refraction: 1.784; (14)Molar Refractivity: 37.213 cm3; (15)Molar Volume: 88.375 cm3; (16)Polarizability: 14.752×10-24 cm3; (17)Surface Tension: 101.602 dyne/cm; (18)Density: 2.039 g/cm3; (19)Flash Point: 143.387 °C; (20)Enthalpy of Vaporization: 61.583 kJ/mol; (21)Boiling Point: 291.326 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
Preparation: this chemical can be prepared by 1,2,4,5-Di-O-cyclohexylidene-L-chiro-inositol at the temperature of 50 °C. This reaction will need reagent 60 percent aq. acetic acid with the reaction time of 6 hours. The yield is about 68%.
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Uses of L-Chiro-Inositol: it can be used to produce 2,3,4,5-Bis-O-(tetraisopropyldisiloxane-1,3-diyl)-L-chiro-inositol at the ambient temperature. It will need reagent Pyridine with the reaction time of 19 hours. The yield is about 75%.
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When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1(C(C(C(C(C1O)O)O)O)O)O
(2)InChI: InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H
(3)InChIKey: CDAISMWEOUEBRE-UHFFFAOYSA-N