ChemSpider 2D Image | 4,4'-[(5-{3-[(11beta,17beta)-17-Hydroxy-3-oxoandrostan-11-yl]propyl}-1,3-phenylene)bis(oxy)]dibutanamide | C36H54N2O6

4,4'-[(5-{3-[(11β,17β)-17-Hydroxy-3-oxoandrostan-11-yl]propyl}-1,3-phenylene)bis(oxy)]dibutanamide

  • Molecular FormulaC36H54N2O6
  • Average mass610.824 Da
  • Monoisotopic mass610.398193 Da
  • ChemSpider ID8297201

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

4,4'-[(5-{3-[(11β,17β)-17-Hydroxy-3-oxoandrostan-11-yl]propyl}-1,3-phenylen)bis(oxy)]dibutanamid [German] [ACD/IUPAC Name]
4,4'-[(5-{3-[(11β,17β)-17-Hydroxy-3-oxoandrostan-11-yl]propyl}-1,3-phenylene)bis(oxy)]dibutanamide [ACD/IUPAC Name]
4,4'-[(5-{3-[(11β,17β)-17-Hydroxy-3-oxoandrostan-11-yl]propyl}-1,3-phénylène)bis(oxy)]dibutanamide [French] [ACD/IUPAC Name]
Butanamide, 4,4'-[[5-[3-[(11β,17β)-17-hydroxy-3-oxoandrostan-11-yl]propyl]-1,3-phenylene]bis(oxy)]bis- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 835.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.2±3.0 kJ/mol
Flash Point: 459.0±34.3 °C
Index of Refraction: 1.554
Molar Refractivity: 170.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 690.08
ACD/KOC (pH 5.5): 3747.03
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 690.09
ACD/KOC (pH 7.4): 3747.04
Polar Surface Area: 142 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 531.0±3.0 cm3

Click to predict properties on the Chemicalize site


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