ChemSpider 2D Image | deepoxyuriolide | C40H54O4

deepoxyuriolide

  • Molecular FormulaC40H54O4
  • Average mass598.854 Da
  • Monoisotopic mass598.402222 Da
  • ChemSpider ID10475689
  • 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

(3R,3'R,6R)-3,3'-Dihydroxy-4,5-didehydro-5,6,7,8-tetrahydro-11,19-epoxy-β,β-caroten-19-one [ACD/IUPAC Name]
(3R,3'R,6R)-3,3'-Dihydroxy-4,5-didéhydro-5,6,7,8-tétrahydro-11,19-époxy-β,β-carotén-19-one [French] [ACD/IUPAC Name]
(3R,3'R,6R)-3,3'-Dihydroxy-4,5-didehydro-5,6,7,8-tetrahydro-11,19-epoxy-β,β-carotin-19-on [German] [ACD/IUPAC Name]
deepoxyuriolide
β,β-Caroten-19-one, 4,5-didehydro-11,19-epoxy-5,6,7,8-tetrahydro-3,3'-dihydroxy-, (3R,3'R,6R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 756.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 125.8±6.0 kJ/mol
Flash Point: 226.7±25.0 °C
Index of Refraction: 1.588
Molar Refractivity: 188.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 9.70
ACD/LogD (pH 5.5): 9.02
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1919060.63
ACD/LogD (pH 7.4): 9.02
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1919060.63
Polar Surface Area: 67 Å2
Polarizability: 74.6±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 559.0±3.0 cm3

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