ChemSpider 2D Image | CSID:8947107 | C45H50D3NO14

  • Molecular FormulaC45H50D3NO14
  • Average mass834.919 Da
  • Monoisotopic mass834.365417 Da
  • ChemSpider ID8947107

  • Double-bond stereo - Double-bond stereo

    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-10-[(2H3)ethanoyloxy]-1,7-dihydroxy-13-{[(2R,3S)-2-hydroxy-3-{[(2E)-2-methyl-2-butenoyl]amino}-3-phenylpropanoyl]oxy}-9-oxo-5,20-epoxytax-11-en-2-yl-b enzoat [German] [ACD/IUPAC Name]
Benzoate de (2α,5β,7β,10β,13α)-4-acétoxy-10-[(2H3)éthanoyloxy]-1,7-dihydroxy-13-{[(2R,3S)-2-hydroxy-3-{[(2E)-2-méthyl-2-butenoyl]amino}-3-phénylpropanoyl]oxy}-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: 929.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.6±3.0 kJ/mol
Flash Point: 516.0±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 212.8±0.4 cm3
#H bond acceptors: 15
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 6.59
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 173.75
ACD/KOC (pH 5.5): 1396.18
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 173.74
ACD/KOC (pH 7.4): 1396.11
Polar Surface Area: 221 Å2
Polarizability: 84.3±0.5 10-24cm3
Surface Tension: 64.2±5.0 dyne/cm
Molar Volume: 610.0±5.0 cm3

Click to predict properties on the Chemicalize site


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