ChemSpider 2D Image | 3'-O-Didehydrolutein | C40H54O2

3'-O-Didehydrolutein

  • Molecular FormulaC40H54O2
  • Average mass566.856 Da
  • Monoisotopic mass566.412354 Da
  • ChemSpider ID9425042

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3'R,6R)-3'-Hydroxy-4,5-didehydro-5,6-dihydro-β,β-caroten-3-one [ACD/IUPAC Name]
(3'R,6R)-3'-Hydroxy-4,5-didéhydro-5,6-dihydro-β,β-carotén-3-one [French] [ACD/IUPAC Name]
(3'R,6R)-3'-Hydroxy-4,5-didehydro-5,6-dihydro-β,β-carotin-3-on [German] [ACD/IUPAC Name]
23984-55-6 [RN]
3'-O-Didehydrolutein
β,β-Caroten-3-one, 4,5-didehydro-5,6-dihydro-3'-hydroxy-, (3'R,6R)- [ACD/Index Name]
β,ε-Caroten-3'-one, 3-hydroxy-, (3R,6'R)-
(3R,6'R)-3-Hydroxy-β,ε-caroten-3'-one
(4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-2-en-1-one
3�?Dehydrolutein
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 703.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 117.7±6.0 kJ/mol
Flash Point: 288.0±25.5 °C
Index of Refraction: 1.578
Molar Refractivity: 187.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 11.30
ACD/LogD (pH 5.5): 10.18
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 8177868.00
ACD/LogD (pH 7.4): 10.18
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 8177868.00
Polar Surface Area: 37 Å2
Polarizability: 74.4±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 565.6±3.0 cm3

Click to predict properties on the Chemicalize site


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