ChemSpider 2D Image | (3S,3'E)-1',3-Dihydroxy-3',4'-didehydro-1',2'-dihydro-beta,psi-caroten-4-one | C40H54O3

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

  • Molecular FormulaC40H54O3
  • Average mass582.855 Da
  • Monoisotopic mass582.407288 Da
  • ChemSpider ID17220912

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S,3'E)-1',3-Dihydroxy-3',4'-didehydro-1',2'-dihydro-β,ψ-caroten-4-one [ACD/IUPAC Name]
(3S,3'E)-1',3-Dihydroxy-3',4'-didéhydro-1',2'-dihydro-β,ψ-carotén-4-one [French] [ACD/IUPAC Name]
(3S,3'E)-1',3-Dihydroxy-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',3-dihydroxy-, (3S,3'E)- [ACD/Index Name]
(3S)-3,1'-Dihydroxy-3',4'-didehydro-1',2'-dihydro-β,ψ-caroten-4-one
14685-41-7 [RN]
4-Oxosaproxanthin
Flexixanthin

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

Density: 1.0±0.1 g/cm3
Boiling Point: 751.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 124.9±6.0 kJ/mol
Flash Point: 422.1±29.4 °C
Index of Refraction: 1.570
Molar Refractivity: 189.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 9.60
ACD/LogD (pH 5.5): 8.61
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1147397.38
ACD/LogD (pH 7.4): 8.61
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1147391.00
Polar Surface Area: 58 Å2
Polarizability: 75.2±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 578.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement