ChemSpider 2D Image | cis-4-[Methyl(cis-4-{[(2E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]oxy}cyclohexyl)amino]cyclohexyl 9H-fluorene-9-carboxylate | C39H45NO7

cis-4-[Methyl(cis-4-{[(2E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]oxy}cyclohexyl)amino]cyclohexyl 9H-fluorene-9-carboxylate

  • Molecular FormulaC39H45NO7
  • Average mass639.777 Da
  • Monoisotopic mass639.319580 Da
  • ChemSpider ID29396052

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

9H-Fluorène-9-carboxylate de cis-4-[méthyl(cis-4-{[(2E)-3-(3,4,5-triméthoxyphényl)-2-propenoyl]oxy}cyclohexyl)amino]cyclohexyle [French] [ACD/IUPAC Name]
9H-Fluorene-9-carboxylic acid, cis-4-[methyl[cis-4-[[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]oxy]cyclohexyl]amino]cyclohexyl ester [ACD/Index Name]
cis-4-[Methyl(cis-4-{[(2E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]oxy}cyclohexyl)amino]cyclohexyl 9H-fluorene-9-carboxylate [ACD/IUPAC Name]
cis-4-[Methyl(cis-4-{[(2E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]oxy}cyclohexyl)amino]cyclohexyl-9H-fluoren-9-carboxylat [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: 749.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.2±3.0 kJ/mol
Flash Point: 406.9±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 179.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.17
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 74.24
ACD/KOC (pH 5.5): 101.32
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 356.55
ACD/KOC (pH 7.4): 486.64
Polar Surface Area: 84 Å2
Polarizability: 71.3±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 516.7±5.0 cm3

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