ChemSpider 2D Image | Methyl (5xi,8alpha,9xi,10alpha,14beta,17alpha,18alpha,19alpha,20beta)-3-oxours-12-en-28-oate | C31H48O3

Methyl (5ξ,8α,9ξ,10α,14β,17α,18α,19α,20β)-3-oxours-12-en-28-oate

  • Molecular FormulaC31H48O3
  • Average mass468.711 Da
  • Monoisotopic mass468.360352 Da
  • ChemSpider ID82965436

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(5ξ,8α,9ξ,10α,14β,17α,18α,19α,20β)-3-Oxours-12-én-28-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (5ξ,8α,9ξ,10α,14β,17α,18α,19α,20β)-3-oxours-12-en-28-oate [ACD/IUPAC Name]
Methyl-(5ξ,8α,9ξ,10α,14β,17α,18α,19α,20β)-3-oxours-12-en-28-oat [German] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 3-oxo-, methyl ester, (5ξ,8α,9ξ,10α,14β,17α,18α,19α,20β)- [ACD/Index 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: 527.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 219.4±30.2 °C
Index of Refraction: 1.536
Molar Refractivity: 137.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 8.89
ACD/LogD (pH 5.5): 8.59
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1127606.00
ACD/LogD (pH 7.4): 8.59
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1127606.00
Polar Surface Area: 43 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 40.7±5.0 dyne/cm
Molar Volume: 439.5±5.0 cm3

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