ChemSpider 2D Image | (4a'R,7a'R,11a'R,11b'R)-Hexahydrotrispiro[cyclohexane-1,2'-bis[1,3]dioxino[5,4-d:4',5'-f][1,3]dioxepine-10',1''-cyclohexane-6',1'''-cyclohexane] | C24H38O6

(4a'R,7a'R,11a'R,11b'R)-Hexahydrotrispiro[cyclohexane-1,2'-bis[1,3]dioxino[5,4-d:4',5'-f][1,3]dioxepine-10',1''-cyclohexane-6',1'''-cyclohexane]

  • Molecular FormulaC24H38O6
  • Average mass422.555 Da
  • Monoisotopic mass422.266846 Da
  • ChemSpider ID29367500

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4a'R,7a'R,11a'R,11b'R)-Hexahydrotrispiro[cyclohexane-1,2'-bis[1,3]dioxino[5,4-d:4',5'-f][1,3]dioxepine-10',1''-cyclohexane-6',1'''-cyclohexane] [ACD/IUPAC Name]
70167-57-6 [RN]
1,2:3,4:5,6-TRI-O-CYCLOHEXYLIDENE-D-MANNITOL
1,3:2,5:4,6-TRI-O-CYCLOHEXYLIDENE-D-MANNITOL
D-Mannitol,1,2:3,4:5,6-tri-O-cyclohexylidene- (9CI)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 549.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 219.3±30.0 °C
Index of Refraction: 1.550
Molar Refractivity: 111.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.86
ACD/LogD (pH 5.5): 5.78
ACD/BCF (pH 5.5): 14667.35
ACD/KOC (pH 5.5): 33408.91
ACD/LogD (pH 7.4): 5.78
ACD/BCF (pH 7.4): 14667.35
ACD/KOC (pH 7.4): 33408.91
Polar Surface Area: 55 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 349.6±5.0 cm3

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