ChemSpider 2D Image | Phycourobilin | C33H42N4O6

Phycourobilin

  • Molecular FormulaC33H42N4O6
  • Average mass590.710 Da
  • Monoisotopic mass590.310425 Da
  • ChemSpider ID4451232
  • 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

(4S,10Z,16R)-phycourobilin
Phycourobilin [Wiki]
(4S,10Z,16R)-3,18-diethyl-2,7,13,17-tetramethyl-1,19-dioxo-1,4,5,15,16,19,22,24-octahydro-21H-biline-8,12-dipropanoic acid
PUB
  • Miscellaneous
    • Chemical Class:

      A urobilin that consists of 3,18-diethyl-2,7,13,17-tetramethyl-1,4,5,15,16,19,22,24-octahydro-21<element>H</element>-biline-8,12-dipropanoic acid bearing two oxo substituents at positions 1 and 19 (th e 4<stereo>S</stereo>,10<stereo>Z</stereo>,16<stereo>R</stereo>-iseomer). ChEBI CHEBI:45097

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

Density: 1.3±0.1 g/cm3
Boiling Point: 890.5±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: 492.4±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: 13
#Rule of 5 Violations: 3
ACD/LogP: 2.31
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.85
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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