ChemSpider 2D Image | (5alpha,6alpha,8xi,9xi,10xi,13xi,14xi,17xi,20S)-5,6-Epoxycholestan-3-yl 4-methoxybenzoate | C35H52O4

(5α,6α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ,20S)-5,6-Epoxycholestan-3-yl 4-methoxybenzoate

  • Molecular FormulaC35H52O4
  • Average mass536.785 Da
  • Monoisotopic mass536.386536 Da
  • ChemSpider ID22889477

  • defined stereocentres - 2 of 10 defined stereocentres

More details:

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

(5α,6α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ,20S)-5,6-Epoxycholestan-3-yl 4-methoxybenzoate [ACD/IUPAC Name]
(5α,6α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ,20S)-5,6-Epoxycholestan-3-yl-4-methoxybenzoat [German] [ACD/IUPAC Name]
4-Méthoxybenzoate de (5α,6α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ,20S)-5,6-époxycholestan-3-yle [French] [ACD/IUPAC Name]
Benzoic acid, 4-methoxy-, (5α,6α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ,20S)-5,6-epoxycholestan-3-yl ester [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: 609.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 251.5±26.0 °C
Index of Refraction: 1.552
Molar Refractivity: 156.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 10.83
ACD/LogD (pH 5.5): 9.54
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3673267.00
ACD/LogD (pH 7.4): 9.54
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3673267.00
Polar Surface Area: 48 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 43.7±5.0 dyne/cm
Molar Volume: 488.1±5.0 cm3

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