Found 1 result

Search term: BXKHSCUVSBEPGU (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (5xi,10alpha)-N-Methyl-N-phenylabieta-8,11,13-trien-19-amide | C27H35NO

(5ξ,10α)-N-Methyl-N-phenylabieta-8,11,13-trien-19-amide

  • Molecular FormulaC27H35NO
  • Average mass389.573 Da
  • Monoisotopic mass389.271851 Da
  • ChemSpider ID30650694

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(5ξ,10α)-N-Methyl-N-phenylabieta-8,11,13-trien-19-amid [German] [ACD/IUPAC Name]
(5ξ,10α)-N-Methyl-N-phenylabieta-8,11,13-trien-19-amide [ACD/IUPAC Name]
(5ξ,10α)-N-Méthyl-N-phénylabiéta-8,11,13-trién-19-amide [French] [ACD/IUPAC Name]
1-Phenanthrenecarboxamide, 1,2,3,4,4a,9,10,10a-octahydro-N,1,4a-trimethyl-7-(1-methylethyl)-N-phenyl-, (1S,4aR)- [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: 497.9±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.6±3.0 kJ/mol
Flash Point: 212.7±16.9 °C
Index of Refraction: 1.573
Molar Refractivity: 121.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 7.70
ACD/LogD (pH 5.5): 6.88
ACD/BCF (pH 5.5): 98859.84
ACD/KOC (pH 5.5): 130922.10
ACD/LogD (pH 7.4): 6.88
ACD/BCF (pH 7.4): 98860.93
ACD/KOC (pH 7.4): 130923.54
Polar Surface Area: 20 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 368.6±3.0 cm3

Click to predict properties on the Chemicalize site


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