ChemSpider 2D Image | Ethyl N-[2-(3-isobutyl-4-{4-[(3-methyl-2-buten-1-yl)oxy]phenyl}-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3-phenylpropanoyl]-L-tyrosinate | C39H44N2O7

Ethyl N-[2-(3-isobutyl-4-{4-[(3-methyl-2-buten-1-yl)oxy]phenyl}-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3-phenylpropanoyl]-L-tyrosinate

  • Molecular FormulaC39H44N2O7
  • Average mass652.776 Da
  • Monoisotopic mass652.314880 Da
  • ChemSpider ID58892293

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Ethyl N-[2-(3-isobutyl-4-{4-[(3-methyl-2-buten-1-yl)oxy]phenyl}-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3-phenylpropanoyl]-L-tyrosinate [ACD/IUPAC Name]
Ethyl-N-[2-(3-isobutyl-4-{4-[(3-methyl-2-buten-1-yl)oxy]phenyl}-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3-phenylpropanoyl]-L-tyrosinat [German] [ACD/IUPAC Name]
L-Tyrosine, N-[2-[2,5-dihydro-3-[4-[(3-methyl-2-buten-1-yl)oxy]phenyl]-4-(2-methylpropyl)-2,5-dioxo-1H-pyrrol-1-yl]-1-oxo-3-phenylpropyl]-, ethyl ester [ACD/Index Name]
N-[2-(3-Isobutyl-4-{4-[(3-méthyl-2-butén-1-yl)oxy]phényl}-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3-phénylpropanoyl]-L-tyrosinate d'éthyle [French] [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: 829.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.7±3.0 kJ/mol
Flash Point: 455.6±34.3 °C
Index of Refraction: 1.587
Molar Refractivity: 183.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 8.83
ACD/LogD (pH 5.5): 6.76
ACD/BCF (pH 5.5): 80914.48
ACD/KOC (pH 5.5): 113432.64
ACD/LogD (pH 7.4): 6.76
ACD/BCF (pH 7.4): 80544.33
ACD/KOC (pH 7.4): 112913.73
Polar Surface Area: 122 Å2
Polarizability: 72.6±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 544.9±3.0 cm3

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