ChemSpider 2D Image | 5-[Methyl(3-{[(2E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]oxy}propyl)amino]pentyl 3,4,5-trimethoxybenzoate | C31H43NO10

5-[Methyl(3-{[(2E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]oxy}propyl)amino]pentyl 3,4,5-trimethoxybenzoate

  • Molecular FormulaC31H43NO10
  • Average mass589.674 Da
  • Monoisotopic mass589.288696 Da
  • ChemSpider ID58118747

  • Double-bond stereo - Double-bond stereo

More details:

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

3,4,5-Triméthoxybenzoate de 5-[méthyl(3-{[(2E)-3-(3,4,5-triméthoxyphényl)-2-propenoyl]oxy}propyl)amino]pentyle [French] [ACD/IUPAC Name]
5-[Methyl(3-{[(2E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]oxy}propyl)amino]pentyl 3,4,5-trimethoxybenzoate [ACD/IUPAC Name]
5-[Methyl(3-{[(2E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]oxy}propyl)amino]pentyl-3,4,5-trimethoxybenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trimethoxy-, 5-[methyl[3-[[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]oxy]propyl]amino]pentyl ester [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3339296/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 667.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 357.6±31.5 °C
Index of Refraction: 1.535
Molar Refractivity: 160.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.19
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 15.93
ACD/KOC (pH 7.4): 84.69
Polar Surface Area: 111 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 516.0±3.0 cm3

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