ChemSpider 2D Image | anhydroprasinoxanthin | C40H54O3

anhydroprasinoxanthin

  • Molecular FormulaC40H54O3
  • Average mass582.855 Da
  • Monoisotopic mass582.407288 Da
  • ChemSpider ID10475691

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S,6R,6'S)-3,6-Dihydroxy-2',3',4',18-tetradehydro-6,6',7,8-tetrahydro-β,β-caroten-8-one [ACD/IUPAC Name]
(3S,6R,6'S)-3,6-Dihydroxy-2',3',4',18-tétradéhydro-6,6',7,8-tétrahydro-β,β-carotén-8-one [French] [ACD/IUPAC Name]
(3S,6R,6'S)-3,6-Dihydroxy-2',3',4',18-tetradehydro-6,6',7,8-tetrahydro-β,β-carotin-8-on [German] [ACD/IUPAC Name]
anhydroprasinoxanthin
β,β-Caroten-8-one, 2',3',4',18-tetradehydro-6,6',7,8-tetrahydro-3,6-dihydroxy-, (3S,6R,6'S)- [ACD/Index Name]
(3S,6R,6'S)-3,6-Dihydroxy-2',3'-didehydro-7,8-dihydro-γ,ε-caroten-8-one

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

Density: 1.0±0.1 g/cm3
Boiling Point: 723.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.7±6.0 kJ/mol
Flash Point: 405.1±29.4 °C
Index of Refraction: 1.566
Molar Refractivity: 183.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 10.49
ACD/LogD (pH 5.5): 8.92
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1695694.88
ACD/LogD (pH 7.4): 8.92
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1695694.88
Polar Surface Area: 58 Å2
Polarizability: 72.9±0.5 10-24cm3
Surface Tension: 42.5±5.0 dyne/cm
Molar Volume: 564.0±5.0 cm3

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