ChemSpider 2D Image | Ethyl N,O-bis{[(2-methyl-2-propanyl)oxy]carbonyl}-3-({[(2-methyl-2-propanyl)oxy]carbonyl}oxy)-L-tyrosinate | C26H39NO10

Ethyl N,O-bis{[(2-methyl-2-propanyl)oxy]carbonyl}-3-({[(2-methyl-2-propanyl)oxy]carbonyl}oxy)-L-tyrosinate

  • Molecular FormulaC26H39NO10
  • Average mass525.589 Da
  • Monoisotopic mass525.257385 Da
  • ChemSpider ID8872752

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Ethyl N,O-bis{[(2-methyl-2-propanyl)oxy]carbonyl}-3-({[(2-methyl-2-propanyl)oxy]carbonyl}oxy)-L-tyrosinate [ACD/IUPAC Name]
Ethyl-N,O-bis{[(2-methyl-2-propanyl)oxy]carbonyl}-3-({[(2-methyl-2-propanyl)oxy]carbonyl}oxy)-L-tyrosinat [German] [ACD/IUPAC Name]
L-Tyrosine, N,O-bis[(1,1-dimethylethoxy)carbonyl]-3-[[(1,1-dimethylethoxy)carbonyl]oxy]-, ethyl ester [ACD/Index Name]
N,O-Bis{[(2-méthyl-2-propanyl)oxy]carbonyl}-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}oxy)-L-tyrosinate d'éthyle [French] [ACD/IUPAC Name]
203398-44-1 [RN]
ethyl (2S)-3-[3,4-bis({[(tert-butoxy)carbonyl]oxy})phenyl]-2-{[(tert-butoxy)carbonyl]amino}propanoate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 612.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 323.9±31.5 °C
Index of Refraction: 1.497
Molar Refractivity: 133.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1807.02
ACD/KOC (pH 5.5): 7463.31
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1806.54
ACD/KOC (pH 7.4): 7461.33
Polar Surface Area: 136 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 457.6±3.0 cm3

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