ChemSpider 2D Image | (5beta,9xi,10alpha,12alpha,16beta)-9,12,13,16-Tetrahydroxy-11-oxokauran-17-al | C20H30O6

(5β,9ξ,10α,12α,16β)-9,12,13,16-Tetrahydroxy-11-oxokauran-17-al

  • Molecular FormulaC20H30O6
  • Average mass366.449 Da
  • Monoisotopic mass366.204254 Da
  • ChemSpider ID57523855

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(5β,9ξ,10α,12α,16β)-9,12,13,16-Tetrahydroxy-11-oxokauran-17-al [German] [ACD/IUPAC Name]
(5β,9ξ,10α,12α,16β)-9,12,13,16-Tetrahydroxy-11-oxokauran-17-al [ACD/IUPAC Name]
(5β,9ξ,10α,12α,16β)-9,12,13,16-Tétrahydroxy-11-oxokauran-17-al [French] [ACD/IUPAC Name]
5948-43-6 [RN]
Phlebiakauranol aldehyde

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

Density: 1.4±0.1 g/cm3
Boiling Point: 556.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.3±6.0 kJ/mol
Flash Point: 304.4±26.6 °C
Index of Refraction: 1.607
Molar Refractivity: 93.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 87.13
ACD/KOC (pH 5.5): 851.88
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 87.11
ACD/KOC (pH 7.4): 851.70
Polar Surface Area: 115 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 66.3±5.0 dyne/cm
Molar Volume: 269.5±5.0 cm3

Click to predict properties on the Chemicalize site


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