ChemSpider 2D Image | N,beta,beta-Trimethyl-L-phenylalanyl-N-[(4R,5E)-6-carboxy-2-methyl-5-octen-4-yl]-N,3-dimethyl-L-valinamide | C29H47N3O4

N,β,β-Trimethyl-L-phenylalanyl-N-[(4R,5E)-6-carboxy-2-methyl-5-octen-4-yl]-N,3-dimethyl-L-valinamide

  • Molecular FormulaC29H47N3O4
  • Average mass501.701 Da
  • Monoisotopic mass501.356659 Da
  • ChemSpider ID9930470

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Valinamide, N,β,β-trimethyl-L-phenylalanyl-N-[(1R,2E)-3-carboxy-1-(2-methylpropyl)-2-penten-1-yl]-N,3-dimethyl- [ACD/Index Name]
N,β,β-Trimethyl-L-phenylalanyl-N-[(4R,5E)-6-carboxy-2-methyl-5-octen-4-yl]-N,3-dimethyl-L-valinamid [German] [ACD/IUPAC Name]
N,β,β-Trimethyl-L-phenylalanyl-N-[(4R,5E)-6-carboxy-2-methyl-5-octen-4-yl]-N,3-dimethyl-L-valinamide [ACD/IUPAC Name]
N,β,β-Triméthyl-L-phénylalanyl-N-[(4R,5E)-6-carboxy-2-méthyl-5-octén-4-yl]-N,3-diméthyl-L-valinamide [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 679.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 364.9±31.5 °C
Index of Refraction: 1.518
Molar Refractivity: 144.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 13.15
ACD/KOC (pH 5.5): 45.92
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 7.78
ACD/KOC (pH 7.4): 27.16
Polar Surface Area: 99 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 478.5±3.0 cm3

Click to predict properties on the Chemicalize site


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