ChemSpider 2D Image | N,3-Dimethyl-4-phenyl-L-valyl-N-[(3S,4E)-5-carboxy-2-methyl-4-hexen-3-yl]-N,N~2~,3-trimethyl-L-valinamide | C29H47N3O4

N,3-Dimethyl-4-phenyl-L-valyl-N-[(3S,4E)-5-carboxy-2-methyl-4-hexen-3-yl]-N,N2,3-trimethyl-L-valinamide

  • Molecular FormulaC29H47N3O4
  • Average mass501.701 Da
  • Monoisotopic mass501.356659 Da
  • ChemSpider ID8159095

  • 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,3-dimethyl-4-phenyl-L-valyl-N-[(1S,2E)-3-carboxy-1-(1-methylethyl)-2-buten-1-yl]-N,N2,3-trimethyl- [ACD/Index Name]
N,3-Dimethyl-4-phenyl-L-valyl-N-[(3S,4E)-5-carboxy-2-methyl-4-hexen-3-yl]-N,N2,3-trimethyl-L-valinamid [German] [ACD/IUPAC Name]
N,3-Dimethyl-4-phenyl-L-valyl-N-[(3S,4E)-5-carboxy-2-methyl-4-hexen-3-yl]-N,N2,3-trimethyl-L-valinamide [ACD/IUPAC Name]
N,3-Diméthyl-4-phényl-L-valyl-N-[(3S,4E)-5-carboxy-2-méthyl-4-hexén-3-yl]-N,N2,3-triméthyl-L-valinamide [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: 650.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 347.4±31.5 °C
Index of Refraction: 1.523
Molar Refractivity: 145.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 4.58
ACD/KOC (pH 5.5): 20.38
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 3.90
ACD/KOC (pH 7.4): 17.35
Polar Surface Area: 90 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 476.1±3.0 cm3

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