ChemSpider 2D Image | 3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methylene]-4-methyl-5-[(3-methyl-5-oxo-4-vinyl-pyrrol-1-ium-2-yl)methylene]pyrrol-3-yl]propanoic acid | C33H35N4O6

3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methylene]-4-methyl-5-[(3-methyl-5-oxo-4-vinyl-pyrrol-1-ium-2-yl)methylene]pyrrol-3-yl]propanoic acid

  • Molecular FormulaC33H35N4O6
  • Average mass583.654 Da
  • Monoisotopic mass583.255127 Da
  • ChemSpider ID3081816

  • Charge - Charge

More details:

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.81
ACD/LogD (pH 7.4): -2.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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