ChemSpider 2D Image | Celaxanthin | C40H54O

Celaxanthin

  • Molecular FormulaC40H54O
  • Average mass550.856 Da
  • Monoisotopic mass550.417480 Da
  • ChemSpider ID29272851

  • 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

(3R,3'E)-3',4'-Didehydro-β,ψ-caroten-3-ol [ACD/IUPAC Name]
(3R,3'E)-3',4'-Didéhydro-β,ψ-carotén-3-ol [French] [ACD/IUPAC Name]
(3R,3'E)-3',4'-Didehydro-β,ψ-carotin-3-ol [German] [ACD/IUPAC Name]
Celaxanthin
β,ψ-Caroten-3-ol, 3',4'-didehydro-, (3R,3'E)- [ACD/Index Name]
3',4'-Didehydro-β,ψ-caroten-3-ol
all-trans-Celaxanthin

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

Density: 1.0±0.1 g/cm3
Boiling Point: 698.1±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.9±6.0 kJ/mol
Flash Point: 298.5±17.9 °C
Index of Refraction: 1.564
Molar Refractivity: 188.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 13.12
ACD/LogD (pH 5.5): 11.58
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.58
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 20 Å2
Polarizability: 74.5±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 577.8±3.0 cm3

Click to predict properties on the Chemicalize site


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