ChemSpider 2D Image | (4E)-N-{(3E)-3-Methoxy-5-[(2S)-2-methyl-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-5-oxo-3-penten-1-yl}-6-methyl-9-methylene-4-tetradecen-13-ynamide | C27H38N2O4

(4E)-N-{(3E)-3-Methoxy-5-[(2S)-2-methyl-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-5-oxo-3-penten-1-yl}-6-methyl-9-methylene-4-tetradecen-13-ynamide

  • Molecular FormulaC27H38N2O4
  • Average mass454.602 Da
  • Monoisotopic mass454.283173 Da
  • ChemSpider ID40256836

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(4E)-N-{(3E)-3-Methoxy-5-[(2S)-2-methyl-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-5-oxo-3-penten-1-yl}-6-methyl-9-methylen-4-tetradecen-13-inamid [German] [ACD/IUPAC Name]
(4E)-N-{(3E)-3-Methoxy-5-[(2S)-2-methyl-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-5-oxo-3-penten-1-yl}-6-methyl-9-methylene-4-tetradecen-13-ynamide [ACD/IUPAC Name]
(4E)-N-{(3E)-3-Méthoxy-5-[(2S)-2-méthyl-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-5-oxo-3-pentén-1-yl}-6-méthyl-9-méthylène-4-tétradécén-13-ynamide [French] [ACD/IUPAC Name]
4-Tetradecen-13-ynamide, N-[(3E)-5-[(2S)-2,5-dihydro-2-methyl-5-oxo-1H-pyrrol-1-yl]-3-methoxy-5-oxo-3-penten-1-yl]-6-methyl-9-methylene-, (4E)- [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: 623.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 330.7±31.5 °C
Index of Refraction: 1.522
Molar Refractivity: 131.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 773.61
ACD/KOC (pH 5.5): 4066.36
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 773.61
ACD/KOC (pH 7.4): 4066.36
Polar Surface Area: 76 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 429.3±3.0 cm3

Click to predict properties on the Chemicalize site


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