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76779-67-4

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Basic Information
CAS No.: 76779-67-4
Name: 1,2:5,6-DI-O-CYCLOHEXYLIDENE-D-MANNITOL
Article Data: 11
Molecular Structure:
Molecular Structure of 76779-67-4 (1,2:5,6-DI-O-CYCLOHEXYLIDENE-D-MANNITOL)
Formula: C18H30O6
Molecular Weight: 342.43
Synonyms: (1S,2S)-1,2-Di[(2R)-1,4-dioxaspiro[4.5]dec-2-yl]-1,2-ethanediol;
Density: 1.257 g/cm3
Melting Point: 103-105 °C(lit.)
Boiling Point: 525.939 °C at 760 mmHg
Flash Point: 271.878 °C
PSA: 77.38000
LogP: 1.85980
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Specification

The D-Mannitol,1,2:5,6-di-O-cyclohexylidene-, with the CAS registry number 76779-67-4, is also known as 1,2:5,6-Di-O-cyclohexylidene-D-mannitol. It belongs to the product categories of Carbohydrate Synthesis; Monosaccharides; Specialty Synthesis. This chemical's molecular formula is C18H30O6 and molecular weight is 342.43. What's more, both its IUPAC name and systematic name are the same which is called (1S,2S)-1,2-Di[(2R)-1,4-dioxaspiro[4.5]dec-2-yl]-1,2-ethanediol.

Physical properties about D-Mannitol,1,2:5,6-di-O-cyclohexylidene- are: (1)ACD/LogP: 2.698; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.70; (4)ACD/LogD (pH 7.4): 2.70; (5)ACD/BCF (pH 5.5): 66.14; (6)ACD/BCF (pH 7.4): 66.14; (7)ACD/KOC (pH 5.5): 699.37; (8)ACD/KOC (pH 7.4): 699.37; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 77.38 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 87.19 cm3; (15)Molar Volume: 272.38 cm3; (16)Polarizability: 34.565×10-24cm3; (17)Surface Tension: 52.424 dyne/cm; (18)Density: 1.257 g/cm3; (19)Flash Point: 271.878 °C; (20)Enthalpy of Vaporization: 92.062 kJ/mol; (21)Boiling Point: 525.939 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O1C[C@@H](OC12CCCCC2)[C@@H](O)[C@H](O)[C@@H]3OC4(OC3)CCCCC4
(2) InChI: InChI=1S/C18H30O6/c19-15(13-11-21-17(23-13)7-3-1-4-8-17)16(20)14-12-22-18(24-14)9-5-2-6-10-18/h13-16,19-20H,1-12H2/t13-,14-,15-,16-/m1/s1
(3) InChIKey: DFWHMBZZFDLOTN-KLHDSHLOSA-N