ChemSpider 2D Image | allyl 3-[(2Z,5E)-5-[2-allyloxy-1-[(3E)-3-ethylidene-4-methyl-5-oxo-pyrrol-2-yl]-2-oxo-ethylidene]-2-[[3-(3-allyloxy-3-oxo-propyl)-5-[(Z)-(4-ethyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylene]-4-methyl-pyrrol-3-yl]propanoate | C43H50N4O8

allyl 3-[(2Z,5E)-5-[2-allyloxy-1-[(3E)-3-ethylidene-4-methyl-5-oxo-pyrrol-2-yl]-2-oxo-ethylidene]-2-[[3-(3-allyloxy-3-oxo-propyl)-5-[(Z)-(4-ethyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylene]-4-methyl-pyrrol-3-yl]propanoate

  • Molecular FormulaC43H50N4O8
  • Average mass750.879 Da
  • Monoisotopic mass750.362854 Da
  • ChemSpider ID9127981
  • Double-bond stereo - Double-bond stereo


More details:






Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.584
Molar Refractivity: 209.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2467.01
ACD/KOC (pH 5.5): 9325.38
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 2467.89
ACD/KOC (pH 7.4): 9328.70
Polar Surface Area: 165 Å2
Polarizability: 83.1±0.5 10-24cm3
Surface Tension: 42.0±7.0 dyne/cm
Molar Volume: 625.6±7.0 cm3

Click to predict properties on the Chemicalize site






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