ChemSpider 2D Image | (3E,3'E)-1,1'-Dihydroxy-3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-psi,psi-carotene-2,2'-dione | C40H52O4

(3E,3'E)-1,1'-Dihydroxy-3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-ψ,ψ-carotene-2,2'-dione

  • Molecular FormulaC40H52O4
  • Average mass596.839 Da
  • Monoisotopic mass596.386536 Da
  • ChemSpider ID17220974

  • 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-carotene-2,2'-dione [ACD/IUPAC Name]
(3E,3'E)-1,1'-Dihydroxy-3,3',4,4'-tétradéhydro-1,1',2,2'-tétrahydro-ψ,ψ-carotène-2,2'-dione [French] [ACD/IUPAC Name]
(3E,3'E)-1,1'-Dihydroxy-3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-ψ,ψ-carotin-2,2'-dion [German] [ACD/IUPAC Name]
ψ,ψ-Carotene-2,2'-dione, 3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-1,1'-dihydroxy-, (3E,3'E)- [ACD/Index Name]
1,1'-(OH)2-2,2'-diketo-3,4,3',4'-tetradehydrolycopene
1,1'-Dihydroxy-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-ψ,ψ-carotene-2,2'-dione
Phillipsiaxanthin

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

Density: 1.0±0.1 g/cm3
Boiling Point: 767.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.4±6.0 kJ/mol
Flash Point: 431.8±25.2 °C
Index of Refraction: 1.554
Molar Refractivity: 190.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 8.41
ACD/LogD (pH 5.5): 7.60
ACD/BCF (pH 5.5): 353442.19
ACD/KOC (pH 5.5): 325881.44
ACD/LogD (pH 7.4): 7.60
ACD/BCF (pH 7.4): 353440.25
ACD/KOC (pH 7.4): 325879.66
Polar Surface Area: 75 Å2
Polarizability: 75.4±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 594.0±3.0 cm3

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