ChemSpider 2D Image | 3-[(2E,5E)-5-[[4-(2-carboxyethyl)-3-methyl-5-[(E)-(3-methyl-5-oxo-4-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methylene]-4-methyl-2-[(3-methyl-5-oxo-4-vinyl-pyrrol-2-yl)-phenyl-methylene]pyrrol-3-yl]propanoic acid | C39H38N4O6

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

  • Molecular FormulaC39H38N4O6
  • Average mass658.742 Da
  • Monoisotopic mass658.279114 Da
  • ChemSpider ID4948010

  • Double-bond stereo - Double-bond stereo

More details:

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

80367-88-0 [RN]
β-meso-Phenybiliverdin ixa
β-Phenylbiliverdin ixa

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.643
Molar Refractivity: 185.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 10.28
ACD/KOC (pH 5.5): 60.89
ACD/LogD (pH 7.4): -0.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 161 Å2
Polarizability: 73.6±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 513.6±7.0 cm3

Click to predict properties on the Chemicalize site


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