ChemSpider 2D Image | Methyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}leucylleucyl-2-methylalanyl-D-leucyl-D-leucyl-2-methylalaninate | C38H70N6O9

Methyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}leucylleucyl-2-methylalanyl-D-leucyl-D-leucyl-2-methylalaninate

  • Molecular FormulaC38H70N6O9
  • Average mass754.997 Da
  • Monoisotopic mass754.520447 Da
  • ChemSpider ID30659243

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Alanine, N-[(1,1-dimethylethoxy)carbonyl]leucylleucyl-2-methylalanyl-D-leucyl-D-leucyl-2-methyl-, methyl ester [ACD/Index Name]
Methyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}leucylleucyl-2-methylalanyl-D-leucyl-D-leucyl-2-methylalaninate [ACD/IUPAC Name]
Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}leucylleucyl-2-methylalanyl-D-leucyl-D-leucyl-2-methylalaninat [German] [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}leucylleucyl-2-méthylalanyl-D-leucyl-D-leucyl-2-méthylalaninate de méthyle [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: 931.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.6±3.0 kJ/mol
Flash Point: 517.0±34.3 °C
Index of Refraction: 1.488
Molar Refractivity: 202.9±0.3 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 4
ACD/LogP: 6.66
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 2835.51
ACD/KOC (pH 5.5): 10297.00
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 2835.20
ACD/KOC (pH 7.4): 10295.85
Polar Surface Area: 210 Å2
Polarizability: 80.4±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 704.4±3.0 cm3

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