ChemSpider 2D Image | Methyl (5xi,8alpha,10alpha,12beta,16beta)-16-hydroxy-12,17-epoxykaur-9(11)-en-18-oate | C21H30O4

Methyl (5ξ,8α,10α,12β,16β)-16-hydroxy-12,17-epoxykaur-9(11)-en-18-oate

  • Molecular FormulaC21H30O4
  • Average mass346.461 Da
  • Monoisotopic mass346.214417 Da
  • ChemSpider ID24534525

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(5ξ,8α,10α,12β,16β)-16-Hydroxy-12,17-époxykaur-9(11)-én-18-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (5ξ,8α,10α,12β,16β)-16-hydroxy-12,17-epoxykaur-9(11)-en-18-oate [ACD/IUPAC Name]
Methyl-(5ξ,8α,10α,12β,16β)-16-hydroxy-12,17-epoxykaur-9(11)-en-18-oat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 465.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.9±6.0 kJ/mol
Flash Point: 159.6±22.2 °C
Index of Refraction: 1.578
Molar Refractivity: 93.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 367.27
ACD/KOC (pH 5.5): 2385.75
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 367.27
ACD/KOC (pH 7.4): 2385.75
Polar Surface Area: 56 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 283.0±5.0 cm3

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