ChemSpider 2D Image | 4-Keto-4'-hydroxy-beta-carotene | C40H54O2

4-Keto-4'-hydroxy-β-carotene

  • Molecular FormulaC40H54O2
  • Average mass566.856 Da
  • Monoisotopic mass566.412354 Da
  • ChemSpider ID9932373

  • Double-bond stereo - Double-bond stereo

More details:

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

4'-Hydroxy-β,β-caroten-4-one [ACD/IUPAC Name]
4'-Hydroxy-β,β-carotén-4-one [French] [ACD/IUPAC Name]
4'-Hydroxy-β,β-carotin-4-on [German] [ACD/IUPAC Name]
4-Keto-4'-hydroxy-β-carotene
β,β-Caroten-4-one, 4'-hydroxy- [ACD/Index Name]
&β;,&β;-carotene-4-one
2213-17-4 [RN]
4'-Hydroxyechinenone
  • Miscellaneous

    • Compound Source:

      astaxanthin biosynthesis (flowering plants) PlantCyc CPD-17652
      Chlamydomonas reinhardtii PlantCyc CPD-17652
      echinenone + 2 a reduced electron acceptor + 2 oxygen -> canthaxanthin + 2 an oxidized electron acceptor + 3 H2O PlantCyc CPD-17652
      Linum usitatissimum PlantCyc CPD-17652
      Volvox carteri PlantCyc CPD-17652

    • Bio Activity:

      3,4,3',4'-tetradehydroisozeaxanthin + a reduced electron acceptor -> 4'-hydroxyechinenone + an oxidized electron acceptor PlantCyc CPD-17652
      4'-hydroxyechinenone + a reduced electron acceptor + oxygen -> 4',4'-dihydroxyechinenone + an oxidized electron acceptor + H2O PlantCyc CPD-17652
      4'-hydroxyechinenone + an oxidized electron acceptor -> canthaxanthin + a reduced electron acceptor PlantCyc CPD-17652
      echinenone + a reduced electron acceptor + oxygen -> 4'-hydroxyechinenone + an oxidized electron acceptor + H2O PlantCyc CPD-17652

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

Density: 1.0±0.1 g/cm3
Boiling Point: 715.3±49.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.4±6.0 kJ/mol
Flash Point: 292.1±22.4 °C
Index of Refraction: 1.580
Molar Refractivity: 187.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 11.20
ACD/LogD (pH 5.5): 10.20
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 8424863.00
ACD/LogD (pH 7.4): 10.20
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 8424863.00
Polar Surface Area: 37 Å2
Polarizability: 74.4±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 563.6±3.0 cm3

Click to predict properties on the Chemicalize site


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