ChemSpider 2D Image | (8beta,9beta,13alpha,14beta)-3-Hydroxy-4,9-cyclo-9,10-secoandrosta-1(10),2,4-trien-17-one | C19H24O2

(8β,9β,13α,14β)-3-Hydroxy-4,9-cyclo-9,10-secoandrosta-1(10),2,4-trien-17-one

  • Molecular FormulaC19H24O2
  • Average mass284.393 Da
  • Monoisotopic mass284.177643 Da
  • ChemSpider ID114553321

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(8β,9β,13α,14β)-3-Hydroxy-4,9-cyclo-9,10-secoandrosta-1(10),2,4-trien-17-on [German] [ACD/IUPAC Name]
(8β,9β,13α,14β)-3-Hydroxy-4,9-cyclo-9,10-secoandrosta-1(10),2,4-trien-17-one [ACD/IUPAC Name]
(8β,9β,13α,14β)-3-Hydroxy-4,9-cyclo-9,10-sécoandrosta-1(10),2,4-trién-17-one [French] [ACD/IUPAC Name]
Estra-1,3,5(10)-trien-17-one, 1-hydroxy-4-methyl-, (8α,9β,13α,14β)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 401.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 171.6±21.3 °C
Index of Refraction: 1.582
Molar Refractivity: 82.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 402.86
ACD/KOC (pH 5.5): 2549.01
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 402.52
ACD/KOC (pH 7.4): 2546.88
Polar Surface Area: 37 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 248.4±3.0 cm3

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