ChemSpider 2D Image | 3',4'-Didehydro-beta,beta-carotene-4,4'-diol | C40H54O2

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

  • Molecular FormulaC40H54O2
  • Average mass566.856 Da
  • Monoisotopic mass566.412354 Da
  • ChemSpider ID58837187

  • Double-bond stereo - Double-bond stereo

More details:

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

3',4'-Didehydro-β,β-carotene-4,4'-diol [ACD/IUPAC Name]
3',4'-Didéhydro-β,β-carotène-4,4'-diol [French] [ACD/IUPAC Name]
3',4'-Didehydro-β,β-carotin-4,4'-diol [German] [ACD/IUPAC Name]
β,β-Carotene-4,4'-diol, 3,4-didehydro- [ACD/Index Name]
3,4-didehydroisozeaxanthin
4,4'-dihydro-3,4,-didehydro-&β;,&β;-carotene
  • Miscellaneous

    • Compound Source:

      astaxanthin biosynthesis (flowering plants) PlantCyc CPD-17651
      Linum usitatissimum PlantCyc CPD-17651

    • Bio Activity:

      3,4-didehydroisozeaxanthin + an oxidized electron acceptor -> 3,4,3',4'-tetradehydroisozeaxanthin + a reduced electron acceptor PlantCyc CPD-17651
      isozeaxanthin + an oxidized electron acceptor -> 3,4-didehydroisozeaxanthin + a reduced electron acceptor PlantCyc CPD-17651

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

Density: 1.0±0.1 g/cm3
Boiling Point: 718.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.0±6.0 kJ/mol
Flash Point: 277.9±27.5 °C
Index of Refraction: 1.595
Molar Refractivity: 188.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 12.09
ACD/LogD (pH 5.5): 10.54
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.54
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 40 Å2
Polarizability: 74.8±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 555.4±3.0 cm3

Click to predict properties on the Chemicalize site


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