ChemSpider 2D Image | 11-[(8xi,9xi,11beta,14xi,17xi)-3,17-Dihydroxy-14,21-cyclo-19-norpregna-1,3,5(10)-trien-11-yl]-N-isopropyl-N-methylundecanamide | C35H55NO3

11-[(8ξ,9ξ,11β,14ξ,17ξ)-3,17-Dihydroxy-14,21-cyclo-19-norpregna-1,3,5(10)-trien-11-yl]-N-isopropyl-N-methylundecanamide

  • Molecular FormulaC35H55NO3
  • Average mass537.816 Da
  • Monoisotopic mass537.418213 Da
  • ChemSpider ID8090829

  • defined stereocentres - 2 of 6 defined stereocentres

More details:

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

11-[(8ξ,9ξ,11β,14ξ,17ξ)-3,17-Dihydroxy-14,21-cyclo-19-norpregna-1,3,5(10)-trien-11-yl]-N-isopropyl-N-methylundecanamid [German] [ACD/IUPAC Name]
11-[(8ξ,9ξ,11β,14ξ,17ξ)-3,17-Dihydroxy-14,21-cyclo-19-norpregna-1,3,5(10)-trien-11-yl]-N-isopropyl-N-methylundecanamide [ACD/IUPAC Name]
11-[(8ξ,9ξ,11β,14ξ,17ξ)-3,17-Dihydroxy-14,21-cyclo-19-norprégna-1,3,5(10)-trién-11-yl]-N-isopropyl-N-méthylundécanamide [French] [ACD/IUPAC Name]
14,17-Ethano-14H-cyclopenta[a]phenanthrene-11-undecanamide, 6,7,8,9,11,12,13,15,16,17-decahydro-3,17-dihydroxy-N,13-dimethyl-N-(1-methylethyl)-, (11S,13S)- [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: 671.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 359.6±31.5 °C
Index of Refraction: 1.571
Molar Refractivity: 159.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 8.62
ACD/LogD (pH 5.5): 7.99
ACD/BCF (pH 5.5): 695843.63
ACD/KOC (pH 5.5): 529222.19
ACD/LogD (pH 7.4): 7.99
ACD/BCF (pH 7.4): 694954.13
ACD/KOC (pH 7.4): 528545.69
Polar Surface Area: 61 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 486.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement