ChemSpider 2D Image | 3-[2-[[3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-pyrrol-2-ylidene]methyl]-5-[(3-ethyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid | C32H40N4O6

3-[2-[[3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-pyrrol-2-ylidene]methyl]-5-[(3-ethyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid

  • Molecular FormulaC32H40N4O6
  • Average mass576.683 Da
  • Monoisotopic mass576.294800 Da
  • ChemSpider ID3818887

More details:






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

Density: 1.3±0.1 g/cm3
Boiling Point: 890.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.6±3.0 kJ/mol
Flash Point: 492.3±34.3 °C
Index of Refraction: 1.645
Molar Refractivity: 156.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 1.72
ACD/LogD (pH 5.5): -0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.07
ACD/LogD (pH 7.4): -2.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 161 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 430.9±7.0 cm3

Click to predict properties on the Chemicalize site






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