ChemSpider 2D Image | heliotropamide | C36H36N2O8

heliotropamide

  • Molecular FormulaC36H36N2O8
  • Average mass624.680 Da
  • Monoisotopic mass624.247192 Da
  • ChemSpider ID552948

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S,4Z)-4-(4-Hydroxy-3-methoxybenzyliden)-2-(4-hydroxy-3-methoxyphenyl)-N,1-bis[2-(4-hydroxyphenyl)ethyl]-5-oxo-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
(2S,3S,4Z)-4-(4-Hydroxy-3-methoxybenzylidene)-2-(4-hydroxy-3-methoxyphenyl)-N,1-bis[2-(4-hydroxyphenyl)ethyl]-5-oxo-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
(2S,3S,4Z)-4-(4-Hydroxy-3-méthoxybenzylidène)-2-(4-hydroxy-3-méthoxyphényl)-N,1-bis[2-(4-hydroxyphényl)éthyl]-5-oxo-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
(2S,3S,4Z)-4-(4-Hydroxy-3-methoxybenzylidene)-2-(4-hydroxy-3-methoxyphenyl)-N,1-bis[2-(4-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
3-Pyrrolidinecarboxamide, 2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methylene]-N,1-bis[2-(4-hydroxyphenyl)ethyl]-5-oxo-, (2S,3S,4Z)- [ACD/Index Name]
heliotropamide
4-(4-Hydroxy-3-methoxy-benzylidene)-2-(4-hydroxy-3-methoxy-phenyl)-1-[2-(4-hydroxy-phenyl)-ethyl]-5-oxo-pyrrolidine-3-carboxylic acid [2-(4-hydroxy-phenyl)-ethyl]-amide
4-(4-hydroxy-3-methoxybenzylidene)-2-(4-hydroxy-3-methoxyphenyl)-N,1-bis[2-(4-hydroxyphenyl(ethyl)]-5-oxopyrrolidine-3-carboxamide
rel-(2R,3R,4Z)-4-(4-hydroxy-3-methoxybenzylidene)-2-(4-hydroxy-3-methoxyphenyl)-N,1-bis[2-(4-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 952.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.4±3.0 kJ/mol
Flash Point: 529.7±34.3 °C
Index of Refraction: 1.670
Molar Refractivity: 173.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 293.90
ACD/KOC (pH 5.5): 2033.82
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 289.11
ACD/KOC (pH 7.4): 2000.70
Polar Surface Area: 149 Å2
Polarizability: 68.9±0.5 10-24cm3
Surface Tension: 64.5±3.0 dyne/cm
Molar Volume: 465.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement