ChemSpider 2D Image | anhydrouriolide | C40H52O4

anhydrouriolide

  • Molecular FormulaC40H52O4
  • Average mass596.839 Da
  • Monoisotopic mass596.386536 Da
  • ChemSpider ID10475688

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3'S,5'R,6S,6'S)-3'-Hydroxy-2,3,4,5-tetradehydro-5,5',6,6',7,8-hexahydro-5',6':11,19-diepoxy-β,β-caroten-19-one [ACD/IUPAC Name]
(3'S,5'R,6S,6'S)-3'-Hydroxy-2,3,4,5-tétradéhydro-5,5',6,6',7,8-hexahydro-5',6':11,19-diépoxy-β,β-carotén-19-one [French] [ACD/IUPAC Name]
(3'S,5'R,6S,6'S)-3'-Hydroxy-2,3,4,5-tetradehydro-5,5',6,6',7,8-hexahydro-5',6':11,19-diepoxy-β,β-carotin-19-on [German] [ACD/IUPAC Name]
anhydrouriolide
β,β-Caroten-19-one, 2,3,4,5-tetradehydro-5',6':11,19-diepoxy-5,5',6,6',7,8-hexahydro-3'-hydroxy-, (3'S,5'R,6S,6'S)- [ACD/Index Name]
(3S,5R,6S,6'S)-5,6-Epoxy-3-hydroxy-2',3'-didehydro-5,6,7',8'-tetrahydro-β,ε-caroten-19',11'-olide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 727.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.4±6.0 kJ/mol
Flash Point: 217.9±25.0 °C
Index of Refraction: 1.598
Molar Refractivity: 186.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 9.65
ACD/LogD (pH 5.5): 8.90
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1648891.88
ACD/LogD (pH 7.4): 8.90
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1648891.88
Polar Surface Area: 59 Å2
Polarizability: 73.8±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 545.4±3.0 cm3

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