ChemSpider 2D Image | 3,3',4,8'-Tetrahydroxy-beta,kappa-caroten-6'-one | C40H56O5

3,3',4,8'-Tetrahydroxy-β,κ-caroten-6'-one

  • Molecular FormulaC40H56O5
  • Average mass616.870 Da
  • Monoisotopic mass616.412781 Da
  • ChemSpider ID21375933

  • Double-bond stereo - Double-bond stereo

More details:

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

3,3',4,8'-Tetrahydroxy-β,κ-caroten-6'-one [ACD/IUPAC Name]
3,3',4,8'-Tétrahydroxy-β,κ-carotén-6'-one [French] [ACD/IUPAC Name]
3,3',4,8'-Tetrahydroxy-β,κ-carotin-6'-on [German] [ACD/IUPAC Name]
3,4,3',8'-tetrahydroxy-β,κ-caroten-6'-one
β,κ-Caroten-6'-one, 3,3',4,8'-tetrahydroxy- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 770.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.0±6.0 kJ/mol
Flash Point: 433.9±29.4 °C
Index of Refraction: 1.581
Molar Refractivity: 190.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 8.59
ACD/LogD (pH 5.5): 7.88
ACD/BCF (pH 5.5): 577556.88
ACD/KOC (pH 5.5): 462989.56
ACD/LogD (pH 7.4): 7.84
ACD/BCF (pH 7.4): 527484.19
ACD/KOC (pH 7.4): 422849.56
Polar Surface Area: 98 Å2
Polarizability: 75.5±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 571.8±3.0 cm3

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