ChemSpider 2D Image | (3beta,16E,17Z)-16-(2-Chlorobenzylidene)-20-cyano-3-hydroxypregna-5,17-dien-21-amide | C29H33ClN2O2

(3β,16E,17Z)-16-(2-Chlorobenzylidene)-20-cyano-3-hydroxypregna-5,17-dien-21-amide

  • Molecular FormulaC29H33ClN2O2
  • Average mass477.038 Da
  • Monoisotopic mass476.223053 Da
  • ChemSpider ID30822798

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3β,16E,17Z)-16-(2-Chlorbenzyliden)-20-cyan-3-hydroxypregna-5,17-dien-21-amid [German] [ACD/IUPAC Name]
(3β,16E,17Z)-16-(2-Chlorobenzylidene)-20-cyano-3-hydroxypregna-5,17-dien-21-amide [ACD/IUPAC Name]
(3β,16E,17Z)-16-(2-Chlorobenzylidène)-20-cyano-3-hydroxyprégna-5,17-dién-21-amide [French] [ACD/IUPAC Name]
Pregna-5,17-dien-21-amide, 16-[(2-chlorophenyl)methylene]-20-cyano-3-hydroxy-, (3β,16E,17Z)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 690.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 371.3±31.5 °C
Index of Refraction: 1.634
Molar Refractivity: 133.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 5.40
ACD/BCF (pH 5.5): 7477.53
ACD/KOC (pH 5.5): 20626.56
ACD/LogD (pH 7.4): 5.40
ACD/BCF (pH 7.4): 7477.53
ACD/KOC (pH 7.4): 20626.56
Polar Surface Area: 87 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 374.5±5.0 cm3

Click to predict properties on the Chemicalize site


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