ChemSpider 2D Image | phycoerythrobilin | C33H38N4O6

phycoerythrobilin

  • Molecular FormulaC33H38N4O6
  • Average mass586.678 Da
  • Monoisotopic mass586.279114 Da
  • ChemSpider ID16741434
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2R,3E,16R)-18-Ethenyl-3-ethylidene-1,2,3,15,16,19,22,24-octahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic Acid
21H-Biline-8,12-dipropanoic acid, 18-ethenyl-3-ethylidene-1,2,3,15,16,19,22,24-octahydro-2,7,13,17-tetramethyl-1,19-dioxo-, (2R,3E,16R)-
phycoerythrobilin [Wiki]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 929.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.7±3.0 kJ/mol
Flash Point: 516.0±34.3 °C
Index of Refraction: 1.640
Molar Refractivity: 160.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.74
ACD/LogD (pH 5.5): -0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 161 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 446.0±7.0 cm3

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