ChemSpider 2D Image | N-Butyl-11-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl]-N-methylundecanamide | C34H55NO3

N-Butyl-11-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl]-N-methylundecanamide

  • Molecular FormulaC34H55NO3
  • Average mass525.805 Da
  • Monoisotopic mass525.418213 Da
  • ChemSpider ID26382529

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

N-Butyl-11-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl]-N-methylundecanamid [German] [ACD/IUPAC Name]
N-Butyl-11-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl]-N-methylundecanamide [ACD/IUPAC Name]
N-Butyl-11-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-méthyl-7,8,9,11,12,13,14,15,16,17-décahydro-6H-cyclopenta[a]phénanthrén-17-yl]-N-méthylundécanamide [French] [ACD/IUPAC Name]
Undecanamide, N-butyl-11-[(17β)-3,17-dihydroxyestra-1(10),2,4-trien-17-yl]-N-methyl- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 660.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 353.2±31.5 °C
Index of Refraction: 1.537
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: 9.02
ACD/LogD (pH 5.5): 7.95
ACD/BCF (pH 5.5): 643545.75
ACD/KOC (pH 5.5): 500437.00
ACD/LogD (pH 7.4): 7.95
ACD/BCF (pH 7.4): 642709.75
ACD/KOC (pH 7.4): 499786.84
Polar Surface Area: 61 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 504.1±3.0 cm3

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