ChemSpider 2D Image | 3,3',4,4'-Tetradehydro-beta,beta-carotene-4,4'-diol | C40H52O2

3,3',4,4'-Tetradehydro-β,β-carotene-4,4'-diol

  • Molecular FormulaC40H52O2
  • Average mass564.840 Da
  • Monoisotopic mass564.396729 Da
  • ChemSpider ID9050716

  • Double-bond stereo - Double-bond stereo

More details:

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

3,3',4,4'-Tetradehydro-β,β-carotene-4,4'-diol [ACD/IUPAC Name]
3,3',4,4'-Tétradéhydro-β,β-carotène-4,4'-diol [French] [ACD/IUPAC Name]
3,3',4,4'-Tetradehydro-β,β-carotin-4,4'-diol [German] [ACD/IUPAC Name]
β,β-Carotene-4,4'-diol, 3,3',4,4'-tetradehydro- [ACD/Index Name]
3,4,3',4'-tetradehydroisozeaxanthin
4,4'-dihydro-3,4,3',4'-tetradehydro-&β;,&β;-carotene
4,4'-dihydro-3,4,3',4'-tetradehydro-&β;',&β;-carotene
4,4'-dihydro-3,4,3',4'-tetradehydro-&β;,&β;-carotene|4,4'-dihydro-3,4,3',4'-tetradehydro-&β;',&β;-carotene
  • Miscellaneous

    • Compound Source:

      astaxanthin biosynthesis (flowering plants) PlantCyc CPD-7854
      canthaxanthin biosynthesis PlantCyc CPD-7854
      Linum usitatissimum PlantCyc CPD-7854

    • Bio Activity:

      3,4,3',4'-tetradehydro-beta,beta-carotene + 2 an oxidized electron acceptor + 2 H2O -> 3,4,3',4'-tetradehydroisozeaxanthin + 2 a reduced electron acceptor PlantCyc CPD-7854
      3,4,3',4'-tetradehydroisozeaxanthin -> canthaxanthin PlantCyc CPD-7854
      3,4,3',4'-tetradehydroisozeaxanthin + a reduced electron acceptor -> 4'-hydroxyechinenone + an oxidized electron acceptor PlantCyc CPD-7854
      3,4-didehydroisozeaxanthin + an oxidized electron acceptor -> 3,4,3',4'-tetradehydroisozeaxanthin + a reduced electron acceptor PlantCyc CPD-7854
      isozeaxanthin + 2 an oxidized electron acceptor -> 3,4,3',4'-tetradehydroisozeaxanthin + 2 a reduced electron acceptor PlantCyc CPD-7854

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

Density: 1.0±0.1 g/cm3
Boiling Point: 724.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.8±6.0 kJ/mol
Flash Point: 281.3±27.5 °C
Index of Refraction: 1.605
Molar Refractivity: 188.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 12.46
ACD/LogD (pH 5.5): 10.49
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.49
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 40 Å2
Polarizability: 74.7±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 546.7±3.0 cm3

Click to predict properties on the Chemicalize site


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