ChemSpider 2D Image | Fucoxanthin | C42H58O6

Fucoxanthin

  • Molecular FormulaC42H58O6
  • Average mass658.906 Da
  • Monoisotopic mass658.423340 Da
  • ChemSpider ID21864745
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-Dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-β,β-caroten-3'-yl acetate [ACD/IUPAC Name]
(3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-Dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-β,β-carotin-3'-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didéhydro-5,5',6,6',7,8-hexahydro-5,6-époxy-β,β-carotén-3'-yle [French] [ACD/IUPAC Name]
all-trans-Fucoxanthin
Fucoxanthin [Wiki]
β,β-Caroten-8-one, 3'-(acetyloxy)-6',7'-didehydro-5,6-epoxy-5,5',6,6',7,8-hexahydro-3,5'-dihydroxy-, (3S,3'S,5R,5'R,6S,6'R,8'R)- [ACD/Index Name]
(3S,3'S,5R,5'R,6S,6'R)-3'-(acetyloxy)-6',7'-didehydro-5,6-epoxy-5,5',6,6',7,8-hexahydro-3,5'-dihydroxy-8-oxo-β,β-carotene
(3'S,5'R,6'R)-3'-acetoxy-5,6-epoxy-3,5'-dihydroxy-6',7'-didehydro-5,6,7,8,5',6'-hexahydro-β,β-caroten-8-one
(3S,5R,6S,3'S,5'R,6'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,6-epoxy-5,6,7,8,5',6'-hexahydro-β,β-caroten-3'-yl acetate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 764.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 126.9±6.0 kJ/mol
Flash Point: 223.0±26.4 °C
Index of Refraction: 1.560
Molar Refractivity: 195.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.83
ACD/LogD (pH 5.5): 7.12
ACD/BCF (pH 5.5): 151621.03
ACD/KOC (pH 5.5): 177813.50
ACD/LogD (pH 7.4): 7.12
ACD/BCF (pH 7.4): 151621.03
ACD/KOC (pH 7.4): 177813.50
Polar Surface Area: 96 Å2
Polarizability: 77.5±0.5 10-24cm3
Surface Tension: 41.0±5.0 dyne/cm
Molar Volume: 604.5±5.0 cm3

Click to predict properties on the Chemicalize site





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