ChemSpider 2D Image | N-[(3alpha,5alpha,8xi,9xi,14xi)-Cholestan-3-yl]-2,2,5-trimethyl-1,3-dioxane-5-carboxamide | C35H61NO3

N-[(3α,5α,8ξ,9ξ,14ξ)-Cholestan-3-yl]-2,2,5-trimethyl-1,3-dioxane-5-carboxamide

  • Molecular FormulaC35H61NO3
  • Average mass543.864 Da
  • Monoisotopic mass543.465149 Da
  • ChemSpider ID8295323

  • defined stereocentres - 6 of 9 defined stereocentres

More details:

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

1,3-Dioxane-5-carboxamide, N-[(3α,5α,8ξ,9ξ,14ξ)-cholestan-3-yl]-2,2,5-trimethyl- [ACD/Index Name]
N-[(3α,5α,8ξ,9ξ,14ξ)-Cholestan-3-yl]-2,2,5-trimethyl-1,3-dioxan-5-carboxamid [German] [ACD/IUPAC Name]
N-[(3α,5α,8ξ,9ξ,14ξ)-Cholestan-3-yl]-2,2,5-trimethyl-1,3-dioxane-5-carboxamide [ACD/IUPAC Name]
N-[(3α,5α,8ξ,9ξ,14ξ)-Cholestan-3-yl]-2,2,5-triméthyl-1,3-dioxane-5-carboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 625.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 331.8±30.1 °C
Index of Refraction: 1.521
Molar Refractivity: 161.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 10.98
ACD/LogD (pH 5.5): 9.07
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2042080.75
ACD/LogD (pH 7.4): 9.07
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2042080.75
Polar Surface Area: 48 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 39.8±5.0 dyne/cm
Molar Volume: 528.6±5.0 cm3

Click to predict properties on the Chemicalize site


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