ChemSpider 2D Image | (2E)-2-[4,5-Dihydroxy-2-(3-{[2-(4-hydroxyphenyl)ethyl]amino}-3-oxopropyl)phenyl]-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]acrylamide | C36H38N2O9

(2E)-2-[4,5-Dihydroxy-2-(3-{[2-(4-hydroxyphenyl)ethyl]amino}-3-oxopropyl)phenyl]-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]acrylamide

  • Molecular FormulaC36H38N2O9
  • Average mass642.695 Da
  • Monoisotopic mass642.257751 Da
  • ChemSpider ID29418671

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-[4,5-Dihydroxy-2-(3-{[2-(4-hydroxyphenyl)ethyl]amino}-3-oxopropyl)phenyl]-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]acrylamid [German] [ACD/IUPAC Name]
(2E)-2-[4,5-Dihydroxy-2-(3-{[2-(4-hydroxyphenyl)ethyl]amino}-3-oxopropyl)phenyl]-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]acrylamide [ACD/IUPAC Name]
(2E)-2-[4,5-Dihydroxy-2-(3-{[2-(4-hydroxyphényl)éthyl]amino}-3-oxopropyl)phényl]-3-(4-hydroxy-3,5-diméthoxyphényl)-N-[2-(4-hydroxyphényl)éthyl]acrylamide [French] [ACD/IUPAC Name]
Benzenepropanamide, 4,5-dihydroxy-2-[(E)-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-[[[2-(4-hydroxyphenyl)ethyl]amino]carbonyl]ethenyl]-N-[2-(4-hydroxyphenyl)ethyl]- [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: 994.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.0±3.0 kJ/mol
Flash Point: 555.1±34.3 °C
Index of Refraction: 1.664
Molar Refractivity: 178.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 197.21
ACD/KOC (pH 5.5): 1527.53
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 191.75
ACD/KOC (pH 7.4): 1485.25
Polar Surface Area: 178 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 63.1±3.0 dyne/cm
Molar Volume: 481.3±3.0 cm3

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