ChemSpider 2D Image | Methyl O-[2-(allyloxy)-1-(4,5-dimethoxy-2-nitrophenyl)-2-oxoethyl]-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tyrosinate | C28H34N2O11

Methyl O-[2-(allyloxy)-1-(4,5-dimethoxy-2-nitrophenyl)-2-oxoethyl]-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tyrosinate

  • Molecular FormulaC28H34N2O11
  • Average mass574.576 Da
  • Monoisotopic mass574.216248 Da
  • ChemSpider ID29324029
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

L-Tyrosine, O-[1-(4,5-dimethoxy-2-nitrophenyl)-2-oxo-2-(2-propen-1-yloxy)ethyl]-N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester [ACD/Index Name]
Methyl O-[2-(allyloxy)-1-(4,5-dimethoxy-2-nitrophenyl)-2-oxoethyl]-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tyrosinate [ACD/IUPAC Name]
Methyl-O-[2-(allyloxy)-1-(4,5-dimethoxy-2-nitrophenyl)-2-oxoethyl]-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tyrosinat [German] [ACD/IUPAC Name]
O-[2-(Allyloxy)-1-(4,5-diméthoxy-2-nitrophényl)-2-oxoéthyl]-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-tyrosinate de méthyle [French] [ACD/IUPAC Name]
(2S)-Methyl 3-(4-(2-(allyloxy)-1-(4,5-dimethoxy-2-nitrophenyl)-2-oxoethoxy)phenyl)-2-((t-butoxycarbonyl)amino)propanoate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 688.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 370.1±31.5 °C
Index of Refraction: 1.544
Molar Refractivity: 146.4±0.3 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 2085.80
ACD/KOC (pH 5.5): 8270.49
ACD/LogD (pH 7.4): 4.67
ACD/BCF (pH 7.4): 2085.25
ACD/KOC (pH 7.4): 8268.31
Polar Surface Area: 164 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 463.9±3.0 cm3

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