ChemSpider 2D Image | (3'E)-1'-Hydroxy-3',4'-didehydro-1',2'-dihydro-beta,psi-caroten-2'-one | C40H54O2

(3'E)-1'-Hydroxy-3',4'-didehydro-1',2'-dihydro-β,ψ-caroten-2'-one

  • Molecular FormulaC40H54O2
  • Average mass566.856 Da
  • Monoisotopic mass566.412354 Da
  • ChemSpider ID30777504
  • Double-bond stereo - Double-bond stereo


More details:






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

(3'E)-1'-Hydroxy-3',4'-didehydro-1',2'-dihydro-β,ψ-caroten-2'-one [ACD/IUPAC Name]
(3'E)-1'-Hydroxy-3',4'-didéhydro-1',2'-dihydro-β,ψ-carotén-2'-one [French] [ACD/IUPAC Name]
(3'E)-1'-Hydroxy-3',4'-didehydro-1',2'-dihydro-β,ψ-carotin-2'-on [German] [ACD/IUPAC Name]
23984-48-7 [RN]
β,ψ-Carotene, 3′,4′-didehydro-1′,2′-dihydro-1′-hydroxy-2′-oxo-
β,ψ-Caroten-2'-one, 3',4'-didehydro-1',2'-dihydro-1'-hydroxy-, (3'E)- [ACD/Index Name]
(4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-2-hydroxy-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohex-1-en-1-yl)pentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaen-3-one
16796-12-6 [RN]
1'-Hydroxy-3',4'-didehydro-1',2'-dihydro-b,y-caroten-2'-one
2'-Dehydroplectaniaxanthin

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

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 710.5±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.7±6.0 kJ/mol
Flash Point: 290.4±20.8 °C
Index of Refraction: 1.560
Molar Refractivity: 188.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 11.96
ACD/LogD (pH 5.5): 10.65
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.65
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 37 Å2
Polarizability: 74.6±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 582.0±3.0 cm3

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