ChemSpider 2D Image | 2,4,6-Tris[(4-methoxybenzyl)oxy]-1,3,5-cyclohexanetriol | C30H36O9

2,4,6-Tris[(4-methoxybenzyl)oxy]-1,3,5-cyclohexanetriol

  • Molecular FormulaC30H36O9
  • Average mass540.601 Da
  • Monoisotopic mass540.235962 Da
  • ChemSpider ID24604469

  • 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[(4-methoxyphenyl)methoxy]- [ACD/Index Name]
2,4,6-Tris[(4-methoxybenzyl)oxy]-1,3,5-cyclohexanetriol [ACD/IUPAC Name]
2,4,6-Tris[(4-méthoxybenzyl)oxy]-1,3,5-cyclohexanetriol [French] [ACD/IUPAC Name]
2,4,6-Tris[(4-methoxybenzyl)oxy]-1,3,5-cyclohexantriol [German] [ACD/IUPAC Name]
(1R,2S,3R,4R,5S,6S)-2,4,6-Tris((4-methoxybenzyl)oxy)cyclohexane-1,3,5-triol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 707.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 381.4±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 144.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.40
ACD/LogD (pH 5.5): 4.15
ACD/BCF (pH 5.5): 835.68
ACD/KOC (pH 5.5): 4297.32
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 835.67
ACD/KOC (pH 7.4): 4297.29
Polar Surface Area: 116 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 416.0±5.0 cm3

Click to predict properties on the Chemicalize site


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