ChemSpider 2D Image | trans-4-[Methyl(trans-4-{[3-(3,4,5-trimethoxyphenyl)propanoyl]oxy}cyclohexyl)amino]cyclohexyl 3,4,5-trimethoxybenzoate | C35H49NO10

trans-4-[Methyl(trans-4-{[3-(3,4,5-trimethoxyphenyl)propanoyl]oxy}cyclohexyl)amino]cyclohexyl 3,4,5-trimethoxybenzoate

  • Molecular FormulaC35H49NO10
  • Average mass643.764 Da
  • Monoisotopic mass643.335632 Da
  • ChemSpider ID26381174

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3,4,5-Triméthoxybenzoate de trans-4-[méthyl(trans-4-{[3-(3,4,5-triméthoxyphényl)propanoyl]oxy}cyclohexyl)amino]cyclohexyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 3,4,5-trimethoxy-, trans-4-[methyl[trans-4-[(3,4,5-trimethoxybenzoyl)oxy]cyclohexyl]amino]cyclohexyl ester [ACD/Index Name]
trans-4-[Methyl(trans-4-{[3-(3,4,5-trimethoxyphenyl)propanoyl]oxy}cyclohexyl)amino]cyclohexyl 3,4,5-trimethoxybenzoate [ACD/IUPAC Name]
trans-4-[Methyl(trans-4-{[3-(3,4,5-trimethoxyphenyl)propanoyl]oxy}cyclohexyl)amino]cyclohexyl-3,4,5-trimethoxybenzoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 686.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 368.9±31.5 °C
Index of Refraction: 1.558
Molar Refractivity: 171.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 2.88
ACD/KOC (pH 5.5): 9.88
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 13.54
ACD/KOC (pH 7.4): 46.55
Polar Surface Area: 111 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 532.9±5.0 cm3

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