ChemSpider 2D Image | CSID:8549523 | C69H81NO15

  • Molecular FormulaC69H81NO15
  • Average mass1164.379 Da
  • Monoisotopic mass1163.560669 Da
  • ChemSpider ID8549523

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(2α,3ξ,5β,7β,10β,13α)-4,10-Diacetoxy-13-{[(2R,3S)-3-(benzoylamino)-2-hydroxy-3-phenylpropanoyl]oxy}-7-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoyloxy]-1-hydroxy-9-oxo-5,2 
0-epoxytax-11-en-2-yl-benzoat [German] [ACD/IUPAC Name]
Benzoate de (2α,3ξ,5β,7β,10β,13α)-4,10-diacétoxy-13-{[(2R,3S)-3-(benzoylamino)-2-hydroxy-3-phénylpropanoyl]oxy}-7-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoyloxy]-1-hydro 
xy-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: 1.3±0.1 g/cm3
Boiling Point: 1080.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 166.0±3.0 kJ/mol
Flash Point: 607.2±34.3 °C
Index of Refraction: 1.610
Molar Refractivity: 320.9±0.4 cm3
#H bond acceptors: 16
#H bond donors: 3
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 3
ACD/LogP: 15.31
ACD/LogD (pH 5.5): 12.45
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.45
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 227 Å2
Polarizability: 127.2±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 926.3±5.0 cm3

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