ChemSpider 2D Image | (2E)-3-(4-{[2-(Hydroxymethyl)benzyl]oxy}-6-methoxy-5'-propoxy-3,4'-bipyridin-3'-yl)-2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]acrylic acid | C34H34N2O9

(2E)-3-(4-{[2-(Hydroxymethyl)benzyl]oxy}-6-methoxy-5'-propoxy-3,4'-bipyridin-3'-yl)-2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]acrylic acid

  • Molecular FormulaC34H34N2O9
  • Average mass614.642 Da
  • Monoisotopic mass614.226440 Da
  • ChemSpider ID8433726

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(4-{[2-(Hydroxymethyl)benzyl]oxy}-6-methoxy-5'-propoxy-3,4'-bipyridin-3'-yl)-2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]acrylic acid [ACD/IUPAC Name]
(2E)-3-(4-{[2-(Hydroxymethyl)benzyl]oxy}-6-methoxy-5'-propoxy-3,4'-bipyridin-3'-yl)-2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]acrylsäure [German] [ACD/IUPAC Name]
1,3-Benzodioxole-5-propanoic acid, α-[[4-[[2-(hydroxymethyl)phenyl]methoxy]-6-methoxy-5'-propoxy[3,4'-bipyridin]-3'-yl]methylene]-6-methoxy-, (αE)- [ACD/Index Name]
Acide (2E)-3-(4-{[2-(hydroxyméthyl)benzyl]oxy}-6-méthoxy-5'-propoxy-3,4'-bipyridin-3'-yl)-2-[(6-méthoxy-1,3-benzodioxol-5-yl)méthyl]acrylique [French] [ACD/IUPAC 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: 749.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 406.8±32.9 °C
Index of Refraction: 1.629
Molar Refractivity: 166.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.87
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 5.86
ACD/KOC (pH 5.5): 23.67
ACD/LogD (pH 7.4): 0.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.68
Polar Surface Area: 139 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 468.5±3.0 cm3

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