ChemSpider 2D Image | (3'S,6Z,6'Z,8E,8'E,10E,10'E,12E,12'E,14E,14'E)-3'-Hydroxy-4,4'-didehydro-beta,beta-caroten-3-one | C40H52O2

(3'S,6Z,6'Z,8E,8'E,10E,10'E,12E,12'E,14E,14'E)-3'-Hydroxy-4,4'-didehydro-β,β-caroten-3-one

  • Molecular FormulaC40H52O2
  • Average mass564.840 Da
  • Monoisotopic mass564.396729 Da
  • ChemSpider ID17220883

  • 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

(3'S,6Z,6'Z,8E,8'E,10E,10'E,12E,12'E,14E,14'E)-3'-Hydroxy-4,4'-didehydro-β,β-caroten-3-one [ACD/IUPAC Name]
(3'S,6Z,6'Z,8E,8'E,10E,10'E,12E,12'E,14E,14'E)-3'-Hydroxy-4,4'-didéhydro-β,β-carotén-3-one [French] [ACD/IUPAC Name]
(3'S,6Z,6'Z,8E,8'E,10E,10'E,12E,12'E,14E,14'E)-3'-Hydroxy-4,4'-didehydro-β,β-carotin-3-on [German] [ACD/IUPAC Name]
β,β-Caroten-3-one, 4,4'-didehydro-3'-hydroxy-, (3'S,6Z,6'Z,8E,8'E,10E,10'E,12E,12'E,14E,14'E)- [ACD/Index Name]
Eschscholtzxanthone

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

Density: 1.0±0.1 g/cm3
Boiling Point: 718.0±49.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.8±6.0 kJ/mol
Flash Point: 293.1±22.4 °C
Index of Refraction: 1.587
Molar Refractivity: 187.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 10.85
ACD/LogD (pH 5.5): 9.74
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4770355.00
ACD/LogD (pH 7.4): 9.74
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4770355.00
Polar Surface Area: 37 Å2
Polarizability: 74.2±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 556.9±3.0 cm3

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