ChemSpider 2D Image | (3alpha,5beta,8alpha,9beta,10alpha,13alpha,14beta,16alpha,17alpha,18alpha)-13,28-Epoxyolean-11-ene-3,16,24-triol | C30H48O4

(3α,5β,8α,9β,10α,13α,14β,16α,17α,18α)-13,28-Epoxyolean-11-ene-3,16,24-triol

  • Molecular FormulaC30H48O4
  • Average mass472.700 Da
  • Monoisotopic mass472.355255 Da
  • ChemSpider ID114934716

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3α,5β,8α,9β,10α,13α,14β,16α,17α,18α)-13,28-Epoxyolean-11-en-3,16,24-triol [German] [ACD/IUPAC Name]
(3α,5β,8α,9β,10α,13α,14β,16α,17α,18α)-13,28-Epoxyolean-11-ene-3,16,24-triol [ACD/IUPAC Name]
(3α,5β,8α,9β,10α,13α,14β,16α,17α,18α)-13,28-Époxyoléan-11-ène-3,16,24-triol [French] [ACD/IUPAC Name]
Olean-11-ene-3,16,24-triol, 13,28-epoxy-, (3α,5β,8α,9β,10α,13α,14β,16α,17α,18α)- [ACD/Index 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: 588.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.8±6.0 kJ/mol
Flash Point: 309.4±30.1 °C
Index of Refraction: 1.583
Molar Refractivity: 134.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 5.50
ACD/BCF (pH 5.5): 8856.97
ACD/KOC (pH 5.5): 23283.96
ACD/LogD (pH 7.4): 5.50
ACD/BCF (pH 7.4): 8856.97
ACD/KOC (pH 7.4): 23283.96
Polar Surface Area: 70 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 403.7±5.0 cm3

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