ChemSpider 2D Image | (8xi,9xi,10xi,13xi,14xi,16xi,17xi,20xi,22xi)-2,6-Dibromospirost-4-en-3-one | C27H38Br2O3

(8ξ,9ξ,10ξ,13ξ,14ξ,16ξ,17ξ,20ξ,22ξ)-2,6-Dibromospirost-4-en-3-one

  • Molecular FormulaC27H38Br2O3
  • Average mass570.397 Da
  • Monoisotopic mass568.118774 Da
  • ChemSpider ID28677760

More details:






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

(8ξ,9ξ,10ξ,13ξ,14ξ,16ξ,17ξ,20ξ,22ξ)-2,6-Dibromospirost-4-en-3-one [ACD/IUPAC Name]
(8ξ,9ξ,10ξ,13ξ,14ξ,16ξ,17ξ,20ξ,22ξ)-2,6-Dibromospirost-4-én-3-one [French] [ACD/IUPAC Name]
(8ξ,9ξ,10ξ,13ξ,14ξ,16ξ,17ξ,20ξ,22ξ)-2,6-Dibromspirost-4-en-3-on [German] [ACD/IUPAC Name]
Spirost-4-en-3-one, 2,6-dibromo-, (8ξ,9ξ,10ξ,13ξ,14ξ,16ξ,17ξ,20ξ,22ξ)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 589.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 310.5±30.1 °C
Index of Refraction: 1.593
Molar Refractivity: 133.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 5.82
ACD/LogD (pH 5.5): 5.57
ACD/BCF (pH 5.5): 10114.17
ACD/KOC (pH 5.5): 25604.63
ACD/LogD (pH 7.4): 5.57
ACD/BCF (pH 7.4): 10114.17
ACD/KOC (pH 7.4): 25604.63
Polar Surface Area: 36 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 393.3±5.0 cm3

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