ChemSpider 2D Image | (3alpha,16beta)-16-Bromo-3-hydroxyandrostan-17-one | C19H29BrO2

(3α,16β)-16-Bromo-3-hydroxyandrostan-17-one

  • Molecular FormulaC19H29BrO2
  • Average mass369.336 Da
  • Monoisotopic mass368.135071 Da
  • ChemSpider ID57422648

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(3α,16β)-16-Brom-3-hydroxyandrostan-17-on [German] [ACD/IUPAC Name]
(3α,16β)-16-Bromo-3-hydroxyandrostan-17-one [ACD/IUPAC Name]
(3α,16β)-16-Bromo-3-hydroxyandrostan-17-one [French] [ACD/IUPAC Name]
Androstan-17-one, 16-bromo-3-hydroxy-, (3α,16β)- [ACD/Index Name]
(3R,8R,9S,10S,13S,14S,16S)-16-Bromo-3-hydroxy-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-17(2H)-one
115115-49-6 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 448.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 81.6±6.0 kJ/mol
Flash Point: 225.1±28.7 °C
Index of Refraction: 1.561
Molar Refractivity: 91.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 564.84
ACD/KOC (pH 5.5): 3246.62
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 564.84
ACD/KOC (pH 7.4): 3246.62
Polar Surface Area: 37 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 282.0±3.0 cm3

Click to predict properties on the Chemicalize site


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