ChemSpider 2D Image | Ethyl (15beta)-15-{[(2-methoxybenzyl)oxy]methyl}-16-oxobeyeran-18-oate | C31H44O5

Ethyl (15β)-15-{[(2-methoxybenzyl)oxy]methyl}-16-oxobeyeran-18-oate

  • Molecular FormulaC31H44O5
  • Average mass496.678 Da
  • Monoisotopic mass496.318878 Da
  • ChemSpider ID30657416

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(15β)-15-{[(2-Méthoxybenzyl)oxy]méthyl}-16-oxobeyeran-18-oate d'éthyle [French] [ACD/IUPAC Name]
Ethyl (15β)-15-{[(2-methoxybenzyl)oxy]methyl}-16-oxobeyeran-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: 568.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 263.3±16.7 °C
Index of Refraction: 1.553
Molar Refractivity: 139.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.73
ACD/LogD (pH 5.5): 6.65
ACD/BCF (pH 5.5): 66833.92
ACD/KOC (pH 5.5): 98926.73
ACD/LogD (pH 7.4): 6.65
ACD/BCF (pH 7.4): 66833.92
ACD/KOC (pH 7.4): 98926.73
Polar Surface Area: 62 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 436.8±5.0 cm3

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