ChemSpider 2D Image | Ethyl (15beta,16alpha)-16-acetamido-15-(acetoxymethyl)beyeran-18-oate | C27H43NO5

Ethyl (15β,16α)-16-acetamido-15-(acetoxymethyl)beyeran-18-oate

  • Molecular FormulaC27H43NO5
  • Average mass461.634 Da
  • Monoisotopic mass461.314117 Da
  • ChemSpider ID58917717

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(15β,16α)-16-Acétamido-15-(acétoxyméthyl)beyeran-18-oate d'éthyle [French] [ACD/IUPAC Name]
Ethyl (15β,16α)-16-acetamido-15-(acetoxymethyl)beyeran-18-oate [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: 565.5±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.9±3.0 kJ/mol
Flash Point: 295.8±28.2 °C
Index of Refraction: 1.529
Molar Refractivity: 126.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 5247.46
ACD/KOC (pH 5.5): 16007.81
ACD/LogD (pH 7.4): 5.20
ACD/BCF (pH 7.4): 5247.46
ACD/KOC (pH 7.4): 16007.81
Polar Surface Area: 82 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 43.9±5.0 dyne/cm
Molar Volume: 409.9±5.0 cm3

Click to predict properties on the Chemicalize site


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