ChemSpider 2D Image | (17alpha)-17-Hydroxy(16,16,17-~2~H_3_)androsta-1,4-dien-3-one | C19H23D3O2

(17α)-17-Hydroxy(16,16,17-2H3)androsta-1,4-dien-3-one

  • Molecular FormulaC19H23D3O2
  • Average mass289.427 Da
  • Monoisotopic mass289.212097 Da
  • ChemSpider ID58780892

  • 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

(17α)-17-Hydroxy(16,16,17-2H3)androsta-1,4-dien-3-on [German] [ACD/IUPAC Name]
(17α)-17-Hydroxy(16,16,17-2H3)androsta-1,4-dien-3-one [ACD/IUPAC Name]
(17α)-17-Hydroxy(16,16,17-2H3)androsta-1,4-dién-3-one [French] [ACD/IUPAC Name]
Androsta-1,4-dien-3-one-16,16,17-d3, 17-hydroxy-, (17α)- [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: 435.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.9±6.0 kJ/mol
Flash Point: 185.8±21.3 °C
Index of Refraction: 1.578
Molar Refractivity: 83.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 192.75
ACD/KOC (pH 5.5): 1503.84
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 192.75
ACD/KOC (pH 7.4): 1503.84
Polar Surface Area: 37 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 250.3±5.0 cm3

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