ChemSpider 2D Image | 3,5-bis[3-[[3,5-bis(3-tetrahydropyran-2-yloxypropoxy)benzoyl]amino]propoxy]benzoic acid | C59H84N2O18

3,5-bis[3-[[3,5-bis(3-tetrahydropyran-2-yloxypropoxy)benzoyl]amino]propoxy]benzoic acid

  • Molecular FormulaC59H84N2O18
  • Average mass1109.301 Da
  • Monoisotopic mass1108.571899 Da
  • ChemSpider ID8900235

More details:

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

3,5-Bis[3-({3,5-bis[3-(tetrahydro-2H-pyran-2-yloxy)propoxy]benzoyl}amino)propoxy]benzoesäure [German] [ACD/IUPAC Name]
Acide 3,5-bis[3-({3,5-bis[3-(tétrahydro-2H-pyran-2-yloxy)propoxy]benzoyl}amino)propoxy]benzoïque [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1130.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 174.4±3.0 kJ/mol
Flash Point: 637.3±34.3 °C
Index of Refraction: 1.578
Molar Refractivity: 291.3±0.4 cm3
#H bond acceptors: 20
#H bond donors: 3
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 60.18
ACD/KOC (pH 5.5): 226.96
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 2.51
ACD/KOC (pH 7.4): 9.48
Polar Surface Area: 225 Å2
Polarizability: 115.5±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 877.4±5.0 cm3

Click to predict properties on the Chemicalize site


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