ChemSpider 2D Image | Rubixanthin | C40H56O


  • Molecular FormulaC40H56O
  • Average mass552.872 Da
  • Monoisotopic mass552.433105 Da
  • ChemSpider ID4444664
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source

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

(3R)-β,ψ-Caroten-3-ol [ACD/IUPAC Name]
(3R)-β,ψ-Carotén-3-ol [French] [ACD/IUPAC Name]
(3R)-β,ψ-Carotin-3-ol [German] [ACD/IUPAC Name]
3763-55-1 [RN]
Rubixanthin [Wiki]
β,ψ-Caroten-3-ol, (3R)- [ACD/Index Name]

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

C08611 [DBID]
CI 75135 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Chemical Class:

      A carotenol that is a natural xanthophyll pigment. It was formerly used as a food colourant (E161d), but approval for this purpose has been withdrawn throughout the European Union. ChEBI CHEBI:8907

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

Density: 0.9±0.1 g/cm3
Boiling Point: 685.7±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 115.0±6.0 kJ/mol
Flash Point: 295.5±17.9 °C
Index of Refraction: 1.557
Molar Refractivity: 188.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 13.51
ACD/LogD (pH 5.5): 12.04
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.04
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: 36.5±3.0 dyne/cm
Molar Volume: 584.2±3.0 cm3

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