ChemSpider 2D Image | Ethyl (16alpha)-16-isothiocyanatobeyeran-18-oate | C23H35NO2S

Ethyl (16α)-16-isothiocyanatobeyeran-18-oate

  • Molecular FormulaC23H35NO2S
  • Average mass389.595 Da
  • Monoisotopic mass389.238861 Da
  • ChemSpider ID58917675

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(16α)-16-Isothiocyanatobeyeran-18-oate d'éthyle [French] [ACD/IUPAC Name]
Ethyl (16α)-16-isothiocyanatobeyeran-18-oate [ACD/IUPAC 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: 476.0±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 241.7±25.7 °C
Index of Refraction: 1.611
Molar Refractivity: 112.4±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.36
ACD/LogD (pH 5.5): 7.37
ACD/BCF (pH 5.5): 234866.97
ACD/KOC (pH 5.5): 243225.56
ACD/LogD (pH 7.4): 7.37
ACD/BCF (pH 7.4): 234866.97
ACD/KOC (pH 7.4): 243225.56
Polar Surface Area: 71 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 42.4±7.0 dyne/cm
Molar Volume: 323.8±7.0 cm3

Click to predict properties on the Chemicalize site


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