ChemSpider 2D Image | (4E,9E)-9-(Chloromethylene)-14-iodo-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-4-tetradecen-13-ynamide | C27H36ClIN2O4

(4E,9E)-9-(Chloromethylene)-14-iodo-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-4-tetradecen-13-ynamide

  • Molecular FormulaC27H36ClIN2O4
  • Average mass614.943 Da
  • Monoisotopic mass614.140808 Da
  • ChemSpider ID40256837

  • 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,9E)-9-(Chlormethylen)-14-iod-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-4-tetradecen-13-inamid [German] [ACD/IUPAC Name]
(4E,9E)-9-(Chloromethylene)-14-iodo-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-4-tetradecen-13-ynamide [ACD/IUPAC Name]
(4E,9E)-9-(Chlorométhylène)-14-iodo-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-4-tétradécén-13-ynamide [French] [ACD/IUPAC Name]
4-Tetradecen-13-ynamide, 9-(chloromethylene)-N-[(3E)-5-[(2S)-2,5-dihydro-2-methyl-5-oxo-1H-pyrrol-1-yl]-3-methoxy-5-oxo-3-penten-1-yl]-14-iodo-6-methyl-, (4E,9E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 708.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 382.2±32.9 °C
Index of Refraction: 1.566
Molar Refractivity: 149.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 7.32
ACD/LogD (pH 5.5): 5.92
ACD/BCF (pH 5.5): 18489.26
ACD/KOC (pH 5.5): 39431.89
ACD/LogD (pH 7.4): 5.92
ACD/BCF (pH 7.4): 18489.28
ACD/KOC (pH 7.4): 39431.93
Polar Surface Area: 76 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 457.6±3.0 cm3

Click to predict properties on the Chemicalize site


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