ChemSpider 2D Image | (3beta,5beta,8xi,12beta)-3,12,14-Trihydroxycardanolide | C23H36O5

(3β,5β,8ξ,12β)-3,12,14-Trihydroxycardanolide

  • Molecular FormulaC23H36O5
  • Average mass392.529 Da
  • Monoisotopic mass392.256287 Da
  • ChemSpider ID59662744
  • defined stereocentres - 9 of 10 defined stereocentres


More details:






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

(3β,5β,8ξ,12β)-3,12,14-Trihydroxycardanolid [German] [ACD/IUPAC Name]
(3β,5β,8ξ,12β)-3,12,14-Trihydroxycardanolide [ACD/IUPAC Name]
(3β,5β,8ξ,12β)-3,12,14-Trihydroxycardanolide [French] [ACD/IUPAC Name]
Cardanolide, 3,12,14-trihydroxy-, (3β,5β,8ξ,12β)- [ACD/Index Name]
20, 22-Dihydrodigoxigenin

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 579.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.6±6.0 kJ/mol
Flash Point: 198.3±23.6 °C
Index of Refraction: 1.591
Molar Refractivity: 104.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.09
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 6.89
ACD/KOC (pH 5.5): 138.56
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 6.89
ACD/KOC (pH 7.4): 138.56
Polar Surface Area: 87 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 309.8±3.0 cm3

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