ChemSpider 2D Image | 2,4,6-Tris(benzyloxy)-1,3,5-cyclohexanetriol | C27H30O6

2,4,6-Tris(benzyloxy)-1,3,5-cyclohexanetriol

  • Molecular FormulaC27H30O6
  • Average mass450.523 Da
  • Monoisotopic mass450.204254 Da
  • ChemSpider ID18631559

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

1,3,5-Cyclohexanetriol, 2,4,6-tris(phenylmethoxy)- [ACD/Index Name]
2,4,6-Tris(benzyloxy)-1,3,5-cyclohexanetriol [ACD/IUPAC Name]
2,4,6-Tris(benzyloxy)-1,3,5-cyclohexanetriol [French] [ACD/IUPAC Name]
2,4,6-Tris(benzyloxy)-1,3,5-cyclohexantriol [German] [ACD/IUPAC Name]
(1R,2S,3R,4R,5S,6S)-2,4,6-Tris(benzyloxy)cyclohexane-1,3,5-triol
114828-08-9 [RN]
2,4,6-tri-O-benzyl-myo-inositol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 628.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 333.8±31.5 °C
Index of Refraction: 1.633
Molar Refractivity: 125.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.66
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 658.38
ACD/KOC (pH 5.5): 3623.01
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 658.38
ACD/KOC (pH 7.4): 3622.99
Polar Surface Area: 88 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 61.2±5.0 dyne/cm
Molar Volume: 351.2±5.0 cm3

Click to predict properties on the Chemicalize site


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