ChemSpider 2D Image | (9beta,17Z)-Pregna-4,17-diene-3,16-dione | C21H28O2

(9β,17Z)-Pregna-4,17-diene-3,16-dione

  • Molecular FormulaC21H28O2
  • Average mass312.446 Da
  • Monoisotopic mass312.208923 Da
  • ChemSpider ID62416534

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(9β,14β,17Z)-Pregna-4,17-dien-3,16-dion [German] [ACD/IUPAC Name]
(9β,14β,17Z)-Pregna-4,17-diene-3,16-dione [ACD/IUPAC Name]
(9β,14β,17Z)-Prégna-4,17-diène-3,16-dione [French] [ACD/IUPAC Name]
(9β,17Z)-Pregna-4,17-dien-3,16-dion [German] [ACD/IUPAC Name]
(9β,17Z)-Pregna-4,17-diene-3,16-dione [ACD/IUPAC Name]
(9β,17Z)-Prégna-4,17-diène-3,16-dione [French] [ACD/IUPAC Name]
Pregna-4,17-diene-3,16-dione, (9β,14β,17Z)- [ACD/Index Name]
Pregna-4,17-diene-3,16-dione, (9β,17Z)- [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: 463.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 172.3±25.7 °C
Index of Refraction: 1.557
Molar Refractivity: 90.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 469.70
ACD/KOC (pH 5.5): 2845.07
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 469.70
ACD/KOC (pH 7.4): 2845.07
Polar Surface Area: 34 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 42.3±5.0 dyne/cm
Molar Volume: 281.5±5.0 cm3

Click to predict properties on the Chemicalize site


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