ChemSpider 2D Image | (3beta,8xi,9xi)-17-Bromo-16-formylandrosta-5,16-dien-3-yl acetate | C22H29BrO3

(3β,8ξ,9ξ)-17-Bromo-16-formylandrosta-5,16-dien-3-yl acetate

  • Molecular FormulaC22H29BrO3
  • Average mass421.368 Da
  • Monoisotopic mass420.130005 Da
  • ChemSpider ID75563145

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(3β,8ξ,9ξ)-17-Brom-16-formylandrosta-5,16-dien-3-yl-acetat [German] [ACD/IUPAC Name]
(3β,8ξ,9ξ)-17-Bromo-16-formylandrosta-5,16-dien-3-yl acetate [ACD/IUPAC Name]
Acétate de (3β,8ξ,9ξ)-17-bromo-16-formylandrosta-5,16-dién-3-yle [French] [ACD/IUPAC Name]
Androsta-5,16-diene-16-carboxaldehyde, 3-(acetyloxy)-17-bromo-, (3β,8ξ,9ξ)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 480.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.5±3.0 kJ/mol
Flash Point: 244.1±28.7 °C
Index of Refraction: 1.574
Molar Refractivity: 104.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 5.15
ACD/BCF (pH 5.5): 4825.09
ACD/KOC (pH 5.5): 15074.59
ACD/LogD (pH 7.4): 5.15
ACD/BCF (pH 7.4): 4825.09
ACD/KOC (pH 7.4): 15074.59
Polar Surface Area: 43 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 317.6±5.0 cm3

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