ChemSpider 2D Image | N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-[(2S,3R)-2-hydroxy-5-methyl-1-phenoxy-3-hexanyl]-L-alaninamide | C30H43N3O6

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-[(2S,3R)-2-hydroxy-5-methyl-1-phenoxy-3-hexanyl]-L-alaninamide

  • Molecular FormulaC30H43N3O6
  • Average mass541.679 Da
  • Monoisotopic mass541.315186 Da
  • ChemSpider ID34221913

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Alaninamide, N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanyl-N-[(1R)-1-[(1S)-1-hydroxy-2-phenoxyethyl]-3-methylbutyl]- [ACD/Index Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-[(2S,3R)-2-hydroxy-5-methyl-1-phenoxy-3-hexanyl]-L-alaninamid [German] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-[(2S,3R)-2-hydroxy-5-methyl-1-phenoxy-3-hexanyl]-L-alaninamide [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-phénylalanyl-N-[(2S,3R)-2-hydroxy-5-méthyl-1-phénoxy-3-hexanyl]-L-alaninamide [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: 781.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.3±3.0 kJ/mol
Flash Point: 426.6±32.9 °C
Index of Refraction: 1.540
Molar Refractivity: 150.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 5.73
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 1627.36
ACD/KOC (pH 5.5): 6924.33
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1626.95
ACD/KOC (pH 7.4): 6922.56
Polar Surface Area: 126 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 478.4±3.0 cm3

Click to predict properties on the Chemicalize site


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