ChemSpider 2D Image | Methyl (5xi,13alpha,14alpha)-14-hydroxy-16-(trityloxy)pimaran-18-oate | C40H50O4

Methyl (5ξ,13α,14α)-14-hydroxy-16-(trityloxy)pimaran-18-oate

  • Molecular FormulaC40H50O4
  • Average mass594.823 Da
  • Monoisotopic mass594.370911 Da
  • ChemSpider ID8206982

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(5ξ,13α,14α)-14-Hydroxy-16-(trityloxy)pimaran-18-oate de méthyle [French] [ACD/IUPAC Name]
1-Phenanthrenecarboxylic acid, tetradecahydro-8-hydroxy-1,4a,7-trimethyl-7-[2-(triphenylmethoxy)ethyl]-, methyl ester, (1R,4aR,4bS,7R,8R,8aR)- [ACD/Index Name]
Methyl (5ξ,13α,14α)-14-hydroxy-16-(trityloxy)pimaran-18-oate [ACD/IUPAC Name]
Methyl-(5ξ,13α,14α)-14-hydroxy-16-(trityloxy)pimaran-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: 651.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 192.3±25.0 °C
Index of Refraction: 1.558
Molar Refractivity: 175.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 10.83
ACD/LogD (pH 5.5): 10.14
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 7832147.50
ACD/LogD (pH 7.4): 10.14
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 7832147.50
Polar Surface Area: 56 Å2
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 544.8±3.0 cm3

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