ChemSpider 2D Image | (3E,3'E)-1,1'-Dihydroxy-3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-psi,psi-caroten-2-one | C40H54O3

(3E,3'E)-1,1'-Dihydroxy-3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-ψ,ψ-caroten-2-one

  • Molecular FormulaC40H54O3
  • Average mass582.855 Da
  • Monoisotopic mass582.407288 Da
  • ChemSpider ID17220975

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E,3'E)-1,1'-Dihydroxy-3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-ψ,ψ-caroten-2-one [ACD/IUPAC Name]
(3E,3'E)-1,1'-Dihydroxy-3,3',4,4'-tétradéhydro-1,1',2,2'-tétrahydro-ψ,ψ-carotén-2-one [French] [ACD/IUPAC Name]
(3E,3'E)-1,1'-Dihydroxy-3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-ψ,ψ-carotin-2-on [German] [ACD/IUPAC Name]
ψ,ψ-Caroten-2-one, 3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-1,1'-dihydroxy-, (3E,3'E)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 748.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 124.5±6.0 kJ/mol
Flash Point: 420.3±23.8 °C
Index of Refraction: 1.550
Molar Refractivity: 190.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 9.73
ACD/LogD (pH 5.5): 8.62
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1161145.25
ACD/LogD (pH 7.4): 8.62
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1161141.50
Polar Surface Area: 58 Å2
Polarizability: 75.4±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 596.8±3.0 cm3

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