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643-10-7

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Basic Information
CAS No.: 643-10-7
Name: allo-Inositol
Article Data: 33
Molecular Structure:
Molecular Structure of 643-10-7 (allo-Inositol)
Formula: C6H12O6
Molecular Weight: 180.158
Synonyms: Inositol,allo- (8CI);Alloinositol;
EINECS: 211-393-5
Density: 2.038 g/cm3
Melting Point: 270-280 °C (dec.)(lit.)
Boiling Point: 291.3 °C at 760 mmHg
Flash Point: 143.4 °C
Appearance: white crystalline powder
PSA: 121.38000
LogP: -3.83460
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Specification

The Allo-Inositol, with CAS registry number 643-10-7, belongs to the following product categories: (1)Biochemistry; (2)Sugars; (3)Vitamin Related Compounds; (4)Vitamins; (5)Carbohydrate Synthesis; (6)Monosaccharides; (7)Specialty Synthesis. It has the systematic name of (1R,2R,3S,4R,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol. And the chemical formula of this chemical is C6H12O6.

Physical properties of Allo-Inositol: (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.7; (5)ACD/KOC (pH 7.4): 1.7; (6)#H bond acceptors: 6; (7)#H bond donors: 6; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 121.38 Å2; (10)Index of Refraction: 1.783; (11)Molar Refractivity: 37.21 cm3; (12)Molar Volume: 88.3 cm3; (13)Polarizability: 14.75×10-24cm3; (14)Surface Tension: 101.6 dyne/cm; (15)Density: 2.038 g/cm3; (16)Flash Point: 143.4 °C; (17)Enthalpy of Vaporization: 61.58 kJ/mol; (18)Boiling Point: 291.3 °C at 760 mmHg; (19)Vapour Pressure: 0.000212 mmHg at 25°C.

Preparation: this chemical can be prepared by hexa-O-acetyl-allo-inositol. This reaction will need reagent aq.-ethanolic HCl.

Allo-Inositol can be prepared by hexa-O-acetyl-allo-inositol

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
(2)InChI: InChI=1/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4-,5-,6+
(3)InChIKey: CDAISMWEOUEBRE-OQYPVSDDBT
(4)Std. InChI: InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4-,5-,6+
(5)Std. InChIKey: CDAISMWEOUEBRE-OQYPVSDDSA-N