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ChemSpider 2D Image | (2alpha,5beta,7beta,10beta,13alpha)-4,10-Diacetoxy-13-{[(2R,3S)-3-(benzoylamino)-2-hydroxy-3-phenylpropanoyl]oxy}-1,7-dihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate | C47H51NO14

(2α,5β,7β,10β,13α)-4,10-Diacetoxy-13-{[(2R,3S)-3-(benzoylamino)-2-hydroxy-3-phenylpropanoyl]oxy}-1,7-dihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate

  • Molecular FormulaC47H51NO14
  • Average mass853.906 Da
  • Monoisotopic mass853.330933 Da
  • ChemSpider ID16739643
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.0 g/cm3
Boiling Point: 957.1±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 146.0±0.0 kJ/mol
Flash Point: 532.6±0.0 °C
Index of Refraction: 1.637
Molar Refractivity: 219.3±0.0 cm3
#H bond acceptors: 15
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 7.38
ACD/LogD (pH 5.5): 7.38
ACD/BCF (pH 5.5): 237939.09
ACD/KOC (pH 5.5): 245498.84
ACD/LogD (pH 7.4): 7.38
ACD/BCF (pH 7.4): 237929.69
ACD/KOC (pH 7.4): 245489.14
Polar Surface Area: 221 Å2
Polarizability: 86.9±0.0 10-24cm3
Surface Tension: 68.5±0.0 dyne/cm
Molar Volume: 610.6±0.0 cm3

Click to predict properties on the Chemicalize site





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