ChemSpider 2D Image | (3beta,5alpha,6beta)-5-Bromo-6-hydroxy-17-oxo(7,7-~2~H_2_)androstan-3-yl acetate | C21H29D2BrO4

(3β,5α,6β)-5-Bromo-6-hydroxy-17-oxo(7,7-2H2)androstan-3-yl acetate

  • Molecular FormulaC21H29D2BrO4
  • Average mass429.385 Da
  • Monoisotopic mass428.153107 Da
  • ChemSpider ID8427518

  • defined stereocentres - 8 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3β,5α,6β)-5-Brom-6-hydroxy-17-oxo(7,7-2H2)androstan-3-yl-acetat [German] [ACD/IUPAC Name]
(3β,5α,6β)-5-Bromo-6-hydroxy-17-oxo(7,7-2H2)androstan-3-yl acetate [ACD/IUPAC Name]
Acétate de (3β,5α,6β)-5-bromo-6-hydroxy-17-oxo(7,7-2H2)androstan-3-yle [French] [ACD/IUPAC Name]
Androstan-17-one-7,7-d2, 3-(acetyloxy)-5-bromo-6-hydroxy-, (3β,5α,6β)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 497.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.1±6.0 kJ/mol
Flash Point: 254.5±28.7 °C
Index of Refraction: 1.566
Molar Refractivity: 102.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 236.37
ACD/KOC (pH 5.5): 1740.30
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 236.37
ACD/KOC (pH 7.4): 1740.30
Polar Surface Area: 64 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 49.8±5.0 dyne/cm
Molar Volume: 313.4±5.0 cm3

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