ChemSpider 2D Image | Methyl (5xi,8alpha,9xi,10alpha,13alpha,15alpha)-15-hydroxykauran-18-oate | C21H34O3

Methyl (5ξ,8α,9ξ,10α,13α,15α)-15-hydroxykauran-18-oate

  • Molecular FormulaC21H34O3
  • Average mass334.493 Da
  • Monoisotopic mass334.250793 Da
  • ChemSpider ID34558290

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(5ξ,8α,9ξ,10α,13α,15α)-15-Hydroxykauran-18-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (5ξ,8α,9ξ,10α,13α,15α)-15-hydroxykauran-18-oate [ACD/IUPAC Name]
Methyl-(5ξ,8α,9ξ,10α,13α,15α)-15-hydroxykauran-18-oat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 425.6±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±6.0 kJ/mol
Flash Point: 163.8±19.5 °C
Index of Refraction: 1.535
Molar Refractivity: 94.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 5.17
ACD/BCF (pH 5.5): 4989.71
ACD/KOC (pH 5.5): 15440.98
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 4989.71
ACD/KOC (pH 7.4): 15440.98
Polar Surface Area: 47 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 42.5±5.0 dyne/cm
Molar Volume: 303.3±5.0 cm3

Click to predict properties on the Chemicalize site


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