ChemSpider 2D Image | N-butyl-11-[(8xi,9xi,14xi,15alpha,17beta)-3,17-dihydroxyestra-1(10),2,4-trien-15-yl]-N-methylundecanamide | C34H55NO3

N-butyl-11-[(8ξ,9ξ,14ξ,15α,17β)-3,17-dihydroxyestra-1(10),2,4-trien-15-yl]-N-methylundecanamide

  • Molecular FormulaC34H55NO3
  • Average mass525.805 Da
  • Monoisotopic mass525.418213 Da
  • ChemSpider ID8567558

  • defined stereocentres - 3 of 6 defined stereocentres

More details:

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

N-butyl-11-[(8ξ,9ξ,14ξ,15α,17β)-3,17-dihydroxyestra-1(10),2,4-trien-15-yl]-N-methylundecanamide
N-Butyl-11-[(8ξ,9ξ,14ξ,15α,17β)-3,17-dihydroxyestra-1,3,5(10)-trien-15-yl]-N-methylundecanamid [German] [ACD/IUPAC Name]
N-Butyl-11-[(8ξ,9ξ,14ξ,15α,17β)-3,17-dihydroxyestra-1,3,5(10)-trien-15-yl]-N-methylundecanamide [ACD/IUPAC Name]
N-Butyl-11-[(8ξ,9ξ,14ξ,15α,17β)-3,17-dihydroxyestra-1,3,5(10)-trién-15-yl]-N-méthylundécanamide [French] [ACD/IUPAC Name]
undecanamide, N-butyl-11-[(8ξ,9ξ,14ξ,15α,17β)-3,17-dihydroxyestra-1(10),2,4-trien-15-yl]-N-methyl-
Undecanamide, N-butyl-11-[(8ξ,9ξ,14ξ,15α,17β)-3,17-dihydroxyestra-1,3,5(10)-trien-15-yl]-N-methyl- [ACD/Index Name]
11-((13S,15S,17S)-3,17-Dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-15-yl)-undecanoic acid butyl-methyl-amide

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

Density: 1.0±0.1 g/cm3
Boiling Point: 663.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 355.1±31.5 °C
Index of Refraction: 1.535
Molar Refractivity: 157.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 8.97
ACD/LogD (pH 5.5): 7.92
ACD/BCF (pH 5.5): 618046.13
ACD/KOC (pH 5.5): 486162.44
ACD/LogD (pH 7.4): 7.92
ACD/BCF (pH 7.4): 617243.19
ACD/KOC (pH 7.4): 485530.84
Polar Surface Area: 61 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 505.7±3.0 cm3

Click to predict properties on the Chemicalize site


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