ChemSpider 2D Image | (1R,3S,5S,6S)-8-Methyl-6-{[(2E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]oxy}-8-azabicyclo[3.2.1]oct-3-yl 3,4,5-trimethoxybenzoate | C30H37NO10

(1R,3S,5S,6S)-8-Methyl-6-{[(2E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]oxy}-8-azabicyclo[3.2.1]oct-3-yl 3,4,5-trimethoxybenzoate

  • Molecular FormulaC30H37NO10
  • Average mass571.615 Da
  • Monoisotopic mass571.241760 Da
  • ChemSpider ID8342358

  • 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

(1R,3S,5S,6S)-8-Methyl-6-{[(2E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]oxy}-8-azabicyclo[3.2.1]oct-3-yl 3,4,5-trimethoxybenzoate [ACD/IUPAC Name]
(1R,3S,5S,6S)-8-Methyl-6-{[(2E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]oxy}-8-azabicyclo[3.2.1]oct-3-yl-3,4,5-trimethoxybenzoat [German] [ACD/IUPAC Name]
3,4,5-Triméthoxybenzoate de (1R,3S,5S,6S)-8-méthyl-6-{[(2E)-3-(3,4,5-triméthoxyphényl)-2-propenoyl]oxy}-8-azabicyclo[3.2.1]oct-3-yle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trimethoxy-, (1R,3S,5S,6S)-8-methyl-6-[[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]oxy]-8-azabicyclo[3.2.1]oct-3-yl ester [ACD/Index 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: 646.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.5±31.5 °C
Index of Refraction: 1.581
Molar Refractivity: 148.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 1.57
ACD/KOC (pH 5.5): 11.55
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 75.16
ACD/KOC (pH 7.4): 554.45
Polar Surface Area: 111 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 446.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement