ChemSpider 2D Image | beta,psi-Caroten-4-one, 3',4'-didehydro-1',2'-dihydro-1'-hydroxy- | C40H54O2

β,ψ-Caroten-4-one, 3',4'-didehydro-1',2'-dihydro-1'-hydroxy-

  • Molecular FormulaC40H54O2
  • Average mass566.856 Da
  • Monoisotopic mass566.412354 Da
  • ChemSpider ID4947701
  • 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-4-one [ACD/IUPAC Name]
(3'E)-1'-Hydroxy-3',4'-didéhydro-1',2'-dihydro-β,ψ-carotén-4-one [French] [ACD/IUPAC Name]
(3'E)-1'-Hydroxy-3',4'-didehydro-1',2'-dihydro-β,ψ-carotin-4-on [German] [ACD/IUPAC Name]
β,ψ-Caroten-4-one, 3',4'-didehydro-1',2'-dihydro-1'-hydroxy-
β,ψ-Caroten-4-one, 3',4'-didehydro-1',2'-dihydro-1'-hydroxy-, (3'E)- [ACD/Index Name]
26056-69-9 [RN]
4-Keto-1',2'-dihydro-1'-hydroxytorulene
Deoxyflexixanthin

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

Density: 1.0±0.1 g/cm3
Boiling Point: 723.4±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.7±6.0 kJ/mol
Flash Point: 294.9±19.7 °C
Index of Refraction: 1.561
Molar Refractivity: 188.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 10.87
ACD/LogD (pH 5.5): 9.53
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3621722.25
ACD/LogD (pH 7.4): 9.53
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3621722.25
Polar Surface Area: 37 Å2
Polarizability: 74.6±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 581.4±3.0 cm3

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