ChemSpider 2D Image | Taraxanthin | C40H56O3

Taraxanthin

  • Molecular FormulaC40H56O3
  • Average mass584.871 Da
  • Monoisotopic mass584.422974 Da
  • ChemSpider ID4444656

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3R,3'S,5'R,6R,6'S)-4,5-Didehydro-5,5',6,6'-tetrahydro-5',6'-epoxy-β,β-carotene-3,3'-diol [ACD/IUPAC Name]
(3R,3'S,5'R,6R,6'S)-4,5-Didéhydro-5,5',6,6'-tétrahydro-5',6'-époxy-β,β-carotène-3,3'-diol [French] [ACD/IUPAC Name]
(3R,3'S,5'R,6R,6'S)-4,5-Didehydro-5,5',6,6'-tetrahydro-5',6'-epoxy-β,β-carotin-3,3'-diol [German] [ACD/IUPAC Name]
28368-08-3 [RN]
Lutein 5,6-epoxide
Taraxanthin
β,β-Carotene-3,3'-diol, 4,5-didehydro-5',6'-epoxy-5,5',6,6'-tetrahydro-, (3R,3'S,5'R,6R,6'S)- [ACD/Index Name]
β,ε-Carotene-3,3'-diol, 5,6-epoxy-5,6-dihydro-, (3S,3'R,5R,6S,6'R)-
(1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-1,5,5-trimethyl-7-oxabicyclo[4.
(1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

76V8XL7PHB [DBID]
C08602 [DBID]
CHEBI:27448 [DBID]
UNII:76V8XL7PHB [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 699.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.1±6.0 kJ/mol
Flash Point: 376.8±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 189.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 10.23
ACD/LogD (pH 5.5): 9.07
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2054634.63
ACD/LogD (pH 7.4): 9.07
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2054634.63
Polar Surface Area: 53 Å2
Polarizability: 74.9±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 556.2±3.0 cm3

Click to predict properties on the Chemicalize site


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