ChemSpider 2D Image | Eschscholtzxanthin | C40H54O2

Eschscholtzxanthin

  • Molecular FormulaC40H54O2
  • Average mass566.856 Da
  • Monoisotopic mass566.412354 Da
  • ChemSpider ID10242800
  • 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

(3S,3'S)-4',5'-Didehydro-4,5'-retro-b,b-carotene-3,3'-diol
(3S,3'S,6Z,6'Z,8E,8'E,10E,10'E,12E,12'E,14E,14'E)-4,4'-Didehydro-β,β-carotene-3,3'-diol [ACD/IUPAC Name]
(3S,3'S,6Z,6'Z,8E,8'E,10E,10'E,12E,12'E,14E,14'E)-4,4'-Didéhydro-β,β-carotène-3,3'-diol [French] [ACD/IUPAC Name]
(3S,3'S,6Z,6'Z,8E,8'E,10E,10'E,12E,12'E,14E,14'E)-4,4'-Didehydro-β,β-carotin-3,3'-diol [German] [ACD/IUPAC Name]
472-73-1 [RN]
Eschscholtzxanthin
β,β-Carotene-3,3'-diol, 4,4'-didehydro-, (3S,3'S,6Z,6'Z,8E,8'E,10E,10'E,12E,12'E,14E,14'E)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 716.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.6±6.0 kJ/mol
Flash Point: 276.7±26.1 °C
Index of Refraction: 1.592
Molar Refractivity: 188.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 11.36
ACD/LogD (pH 5.5): 9.95
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6174601.00
ACD/LogD (pH 7.4): 9.95
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6174601.00
Polar Surface Area: 40 Å2
Polarizability: 74.8±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 557.4±3.0 cm3

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