ChemSpider 2D Image | CSID:8209082 | C47H51NO14

  • Molecular FormulaC47H51NO14
  • Average mass853.906 Da
  • Monoisotopic mass853.330933 Da
  • ChemSpider ID8209082
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(2α,5β,7β,10β,13α)-4-Acetoxy-13-{[(2R,3S)-3-(4-acetylphenyl)-3-(benzoylamino)-2-hydroxypropanoyl]oxy}-1,7,10-trihydroxy-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-(4-acétylphényl)-3-(benzoylamino)-2-hydroxypropanoyl]oxy}-1,7,10-trihydroxy-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

Density: 1.4±0.1 g/cm3
Boiling Point: 993.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.8±3.0 kJ/mol
Flash Point: 554.8±34.3 °C
Index of Refraction: 1.649
Molar Refractivity: 219.1±0.4 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 4
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 138.45
ACD/KOC (pH 5.5): 1186.68
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 138.42
ACD/KOC (pH 7.4): 1186.49
Polar Surface Area: 232 Å2
Polarizability: 86.8±0.5 10-24cm3
Surface Tension: 71.9±5.0 dyne/cm
Molar Volume: 601.4±5.0 cm3

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