ChemSpider 2D Image | (4E)-14-Bromo-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 | C27H37BrN2O4

(4E)-14-Bromo-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 FormulaC27H37BrN2O4
  • Average mass533.498 Da
  • Monoisotopic mass532.193665 Da
  • ChemSpider ID40256835

  • 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)-14-Brom-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)-14-Bromo-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)-14-Bromo-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, 14-bromo-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: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.541
Molar Refractivity: 138.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 6.70
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3092.54
ACD/KOC (pH 5.5): 10963.82
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3092.54
ACD/KOC (pH 7.4): 10963.83
Polar Surface Area: 76 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 442.0±3.0 cm3

Click to predict properties on the Chemicalize site


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