ChemSpider 2D Image | (1alpha,3beta,5beta,8alpha,9beta,10alpha,11beta,15beta)-3-Hydroxy-7-oxokaur-16-ene-1,11,15-triyl triacetate | C26H36O8

(1α,3β,5β,8α,9β,10α,11β,15β)-3-Hydroxy-7-oxokaur-16-ene-1,11,15-triyl triacetate

  • Molecular FormulaC26H36O8
  • Average mass476.559 Da
  • Monoisotopic mass476.241028 Da
  • ChemSpider ID29415098

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1α,3β,5β,8α,9β,10α,11β,15β)-3-Hydroxy-7-oxokaur-16-en-1,11,15-triyl-triacetat [German] [ACD/IUPAC Name]
(1α,3β,5β,8α,9β,10α,11β,15β)-3-Hydroxy-7-oxokaur-16-ene-1,11,15-triyl triacetate [ACD/IUPAC Name]
Triacétate de (1α,3β,5β,8α,9β,10α,11β,15β)-3-hydroxy-7-oxokaur-16-ène-1,11,15-triyle [French] [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: 555.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.2±6.0 kJ/mol
Flash Point: 177.8±23.6 °C
Index of Refraction: 1.544
Molar Refractivity: 120.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 72.52
ACD/KOC (pH 5.5): 747.03
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 72.52
ACD/KOC (pH 7.4): 747.03
Polar Surface Area: 116 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 382.9±5.0 cm3

Click to predict properties on the Chemicalize site


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