ChemSpider 2D Image | N-Methyl-N-[(2E)-5-methyl-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-hexenoyl]-3-(2-naphthyl)-D-alanyl-Nalpha-methyl-N-(tetrahydro-2-furanylmethyl)-D-phenylalaninamide | C41H54N4O6

N-Methyl-N-[(2E)-5-methyl-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-hexenoyl]-3-(2-naphthyl)-D-alanyl-Nα-methyl-N-(tetrahydro-2-furanylmethyl)-D-phenylalaninamide

  • Molecular FormulaC41H54N4O6
  • Average mass698.891 Da
  • Monoisotopic mass698.404358 Da
  • ChemSpider ID8708127

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

D-Phenylalaninamide, N-[(2E)-5-[[(1,1-dimethylethoxy)carbonyl]amino]-5-methyl-1-oxo-2-hexen-1-yl]-N-methyl-3-(2-naphthalenyl)-D-alanyl-Nα-methyl-N-[(tetrahydro-2-furanyl)methyl]- [ACD/Index Name]
N-Methyl-N-[(2E)-5-methyl-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-hexenoyl]-3-(2-naphthyl)-D-alanyl-Nα-methyl-N-(tetrahydro-2-furanylmethyl)-D-phenylalaninamid [German] [ACD/IUPAC Name]
N-Methyl-N-[(2E)-5-methyl-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-hexenoyl]-3-(2-naphthyl)-D-alanyl-Nα-methyl-N-(tetrahydro-2-furanylmethyl)-D-phenylalaninamide [ACD/IUPAC Name]
N-Méthyl-N-[(2E)-5-méthyl-5-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-2-hexenoyl]-3-(2-naphtyl)-D-alanyl-Nα-méthyl-N-(tétrahydro-2-furanylméthyl)-D-phénylalaninamide [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: 905.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.7±3.0 kJ/mol
Flash Point: 501.4±34.3 °C
Index of Refraction: 1.574
Molar Refractivity: 200.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 7582.16
ACD/KOC (pH 5.5): 20832.72
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 7582.10
ACD/KOC (pH 7.4): 20832.59
Polar Surface Area: 117 Å2
Polarizability: 79.5±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 607.9±3.0 cm3

Click to predict properties on the Chemicalize site


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