ChemSpider 2D Image | Ethyl N-[(benzyloxy)carbonyl]-3-[1-hydroxy-3,5-bis(2-methyl-2-propanyl)-4-oxo-2,5-cyclohexadien-1-yl]alanyl-L-leucinate | C33H48N2O7

Ethyl N-[(benzyloxy)carbonyl]-3-[1-hydroxy-3,5-bis(2-methyl-2-propanyl)-4-oxo-2,5-cyclohexadien-1-yl]alanyl-L-leucinate

  • Molecular FormulaC33H48N2O7
  • Average mass584.743 Da
  • Monoisotopic mass584.346130 Da
  • ChemSpider ID8873884

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Ethyl N-[(benzyloxy)carbonyl]-3-[1-hydroxy-3,5-bis(2-methyl-2-propanyl)-4-oxo-2,5-cyclohexadien-1-yl]alanyl-L-leucinate [ACD/IUPAC Name]
Ethyl-N-[(benzyloxy)carbonyl]-3-[1-hydroxy-3,5-bis(2-methyl-2-propanyl)-4-oxo-2,5-cyclohexadien-1-yl]alanyl-L-leucinat [German] [ACD/IUPAC Name]
L-Leucine, 3-[3,5-bis(1,1-dimethylethyl)-1-hydroxy-4-oxo-2,5-cyclohexadien-1-yl]-N-[(phenylmethoxy)carbonyl]alanyl-, ethyl ester [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-3-[1-hydroxy-3,5-bis(2-méthyl-2-propanyl)-4-oxo-2,5-cyclohexadién-1-yl]alanyl-L-leucinate d'éthyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 726.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 393.4±32.9 °C
Index of Refraction: 1.533
Molar Refractivity: 160.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 6.57
ACD/LogD (pH 5.5): 5.62
ACD/BCF (pH 5.5): 11063.23
ACD/KOC (pH 5.5): 27302.24
ACD/LogD (pH 7.4): 5.62
ACD/BCF (pH 7.4): 11052.46
ACD/KOC (pH 7.4): 27275.66
Polar Surface Area: 131 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 516.1±3.0 cm3

Click to predict properties on the Chemicalize site


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