ChemSpider 2D Image | 3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[(E)-(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-3H-pyrrol-2-yl]methyl]-4-methyl-5-[(E)-(3-methyl-5-oxo-4-vinyl-pyrrol-2-ylidene)methyl]-3H-pyrrol-3-yl]propanoic acid | C33H36N4O6

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

  • Molecular FormulaC33H36N4O6
  • Average mass584.662 Da
  • Monoisotopic mass584.263489 Da
  • ChemSpider ID30784793

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[635-65-4] [RN]
635-65-4 [RN]
bilirubin [Wiki]
MFCD00005499 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 901.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.1±6.0 kJ/mol
Flash Point: 498.9±34.3 °C
Index of Refraction: 1.640
Molar Refractivity: 160.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: -0.54
ACD/LogD (pH 5.5): -2.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 446.0±7.0 cm3

Click to predict properties on the Chemicalize site


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