ChemSpider 2D Image | 2,5-Di-O-octyl-D-mannitol | C22H46O6

2,5-Di-O-octyl-D-mannitol

  • Molecular FormulaC22H46O6
  • Average mass406.597 Da
  • Monoisotopic mass406.329437 Da
  • ChemSpider ID57593673
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

2,5-Di-O-octyl-D-mannitol [German] [ACD/IUPAC Name]
2,5-Di-O-octyl-D-mannitol [ACD/IUPAC Name]
2,5-Di-O-octyl-D-mannitol [French] [ACD/IUPAC Name]
D-Mannitol, 2,5-di-O-octyl- [ACD/Index Name]
(2R,3S,4S,5R)-2,5-bis(octyloxy)hexane-1,3,4,6-tetrol
149359-34-2 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 557.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.4±6.0 kJ/mol
Flash Point: 290.8±30.1 °C
Index of Refraction: 1.485
Molar Refractivity: 113.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 1
ACD/LogP: 6.35
ACD/LogD (pH 5.5): 5.84
ACD/BCF (pH 5.5): 16137.67
ACD/KOC (pH 5.5): 35773.36
ACD/LogD (pH 7.4): 5.84
ACD/BCF (pH 7.4): 16137.64
ACD/KOC (pH 7.4): 35773.29
Polar Surface Area: 99 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 395.9±3.0 cm3

Click to predict properties on the Chemicalize site






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