ChemSpider 2D Image | N,beta,beta-Trimethylphenylalanyl-N-[(3S,4E)-5-carboxy-2-methyl-4-hexen-3-yl]-N,3-dimethylvalinamide | C27H43N3O4

N,β,β-Trimethylphenylalanyl-N-[(3S,4E)-5-carboxy-2-methyl-4-hexen-3-yl]-N,3-dimethylvalinamide

  • Molecular FormulaC27H43N3O4
  • Average mass473.648 Da
  • Monoisotopic mass473.325348 Da
  • ChemSpider ID114951863

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 3 defined stereocentres

More details:

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

N,β,β-Trimethylphenylalanyl-N-[(3S,4E)-5-carboxy-2-methyl-4-hexen-3-yl]-N,3-dimethylvalinamid [German] [ACD/IUPAC Name]
N,β,β-Trimethylphenylalanyl-N-[(3S,4E)-5-carboxy-2-methyl-4-hexen-3-yl]-N,3-dimethylvalinamide [ACD/IUPAC Name]
N,β,β-Triméthylphénylalanyl-N-[(3S,4E)-5-carboxy-2-méthyl-4-hexén-3-yl]-N,3-diméthylvalinamide [French] [ACD/IUPAC Name]
Valinamide, N,β,β-trimethylphenylalanyl-N-[(1S,2E)-3-carboxy-1-(1-methylethyl)-2-buten-1-yl]-N,3-dimethyl- [ACD/Index 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: 662.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 354.4±31.5 °C
Index of Refraction: 1.521
Molar Refractivity: 135.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 4.10
ACD/KOC (pH 5.5): 19.99
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 2.43
ACD/KOC (pH 7.4): 11.85
Polar Surface Area: 99 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 445.5±3.0 cm3

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