ChemSpider 2D Image | 3-[(2E,5E)-5-[[(3E)-3-ethylidene-4-methyl-5-oxo-pyrrol-2-yl]methylene]-2-[[3-(3-methoxy-3-oxo-propyl)-4-methyl-5-[[(2R)-3-methyl-5-oxo-4-vinyl-1,2-dihydropyrrol-2-yl]methyl]-1H-pyrrol-2-yl]methylene]-4-methyl-pyrrol-3-yl]propanoic acid | C34H40N4O6

3-[(2E,5E)-5-[[(3E)-3-ethylidene-4-methyl-5-oxo-pyrrol-2-yl]methylene]-2-[[3-(3-methoxy-3-oxo-propyl)-4-methyl-5-[[(2R)-3-methyl-5-oxo-4-vinyl-1,2-dihydropyrrol-2-yl]methyl]-1H-pyrrol-2-yl]methylene]-4-methyl-pyrrol-3-yl]propanoic acid

  • Molecular FormulaC34H40N4O6
  • Average mass600.705 Da
  • Monoisotopic mass600.294800 Da
  • ChemSpider ID8546827
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres


More details:






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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.622
Molar Refractivity: 165.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 1.61
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 8.99
ACD/KOC (pH 5.5): 99.74
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.61
Polar Surface Area: 150 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 470.4±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement