ChemSpider 2D Image | N-Methyl-N-[(2E)-5-methyl-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-hexenoyl]-3-(2-naphthyl)-D-alanyl-N,Nalpha-dimethyl-D-phenylalaninamide | C37H48N4O5

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

  • Molecular FormulaC37H48N4O5
  • Average mass628.801 Da
  • Monoisotopic mass628.362488 Da
  • ChemSpider ID9016981

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 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-N,Nα-dimethyl- [ACD/Index Name]
N-Methyl-N-[(2E)-5-methyl-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-hexenoyl]-3-(2-naphthyl)-D-alanyl-N,Nα-dimethyl-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-N,Nα-dimethyl-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-N,Nα-diméthyl-D-phénylalaninamide [French] [ACD/IUPAC Name]
193085-20-0 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 851.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.7±3.0 kJ/mol
Flash Point: 468.8±34.3 °C
Index of Refraction: 1.575
Molar Refractivity: 182.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 5.17
ACD/BCF (pH 5.5): 5035.71
ACD/KOC (pH 5.5): 15542.75
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 5035.69
ACD/KOC (pH 7.4): 15542.66
Polar Surface Area: 108 Å2
Polarizability: 72.4±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 552.1±3.0 cm3

Click to predict properties on the Chemicalize site


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