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

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

  • Molecular FormulaC19H29BrO2
  • Average mass369.336 Da
  • Monoisotopic mass368.135071 Da
  • ChemSpider ID57260286

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(3α,16α)-16-Brom-3-hydroxyandrostan-17-on [German] [ACD/IUPAC Name]
(3α,16α)-16-Bromo-3-hydroxyandrostan-17-one [ACD/IUPAC Name]
(3α,16α)-16-Bromo-3-hydroxyandrostan-17-one [French] [ACD/IUPAC Name]
Androstan-17-one, 16-bromo-3-hydroxy-, (3α,16α)- [ACD/Index Name]
16α-BROMOANDROSTERONE
59462-53-2 [RN]
MFCD00056175

    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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