ChemSpider 2D Image | CSID:8685188 | C47H48D3NO14

  • Molecular FormulaC47H48D3NO14
  • Average mass856.925 Da
  • Monoisotopic mass856.349792 Da
  • ChemSpider ID8685188

  • defined stereocentres - 11 of 11 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2α,5β,7β,10β,13α)-4-Acetoxy-13-{[(2R,3S)-3-(benzoylamino)-2-hydroxy-3-phenylpropanoyl]oxy}-10-[(2H3)ethanoyloxy]-1,7-dihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl-benzoat [German] [ACD/IUPAC Name]
Benzoate de (2α,5β,7β,10β,13α)-4-acétoxy-13-{[(2R,3S)-3-(benzoylamino)-2-hydroxy-3-phénylpropanoyl]oxy}-10-[(2H3)éthanoyloxy]-1,7-dihydroxy-9-oxo-5,20-époxytax-11-én-2-yle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 957.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.0±3.0 kJ/mol
Flash Point: 532.6±34.3 °C
Index of Refraction: 1.637
Molar Refractivity: 219.3±0.4 cm3
#H bond acceptors: 15
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 7.38
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 536.14
ACD/KOC (pH 5.5): 3127.68
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 536.12
ACD/KOC (pH 7.4): 3127.55
Polar Surface Area: 221 Å2
Polarizability: 86.9±0.5 10-24cm3
Surface Tension: 68.5±5.0 dyne/cm
Molar Volume: 610.6±5.0 cm3

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