ChemSpider 2D Image | (5alpha)-(2,2,4,4,16,16-~2~H_6_)Estrane-3,17-dione | C18H20D6O2

(5α)-(2,2,4,4,16,16-2H6)Estrane-3,17-dione

  • Molecular FormulaC18H20D6O2
  • Average mass280.435 Da
  • Monoisotopic mass280.230927 Da
  • ChemSpider ID17612701

  • defined stereocentres - 6 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(5α)-(2,2,4,4,16,16-2H6)Estran-3,17-dion [German] [ACD/IUPAC Name]
(5α)-(2,2,4,4,16,16-2H6)Estrane-3,17-dione [ACD/IUPAC Name]
(5α)-(2,2,4,4,16,16-2H6)Estrane-3,17-dione [French] [ACD/IUPAC Name]
Estrane-3,17-dione-2,2,4,4,16,16-d6, (5α)- [ACD/Index Name]
122605-91-8 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 411.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.4±3.0 kJ/mol
Flash Point: 153.9±25.7 °C
Index of Refraction: 1.526
Molar Refractivity: 77.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 115.79
ACD/KOC (pH 5.5): 1044.19
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 115.79
ACD/KOC (pH 7.4): 1044.19
Polar Surface Area: 34 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 252.4±3.0 cm3

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