ChemSpider 2D Image | (7beta,8xi,9beta,13xi,14beta)-3-Hydroxy-7-methylestra-1(10),2,4-trien-17-one | C19H24O2

(7β,8ξ,9β,13ξ,14β)-3-Hydroxy-7-methylestra-1(10),2,4-trien-17-one

  • Molecular FormulaC19H24O2
  • Average mass284.393 Da
  • Monoisotopic mass284.177643 Da
  • ChemSpider ID58816341

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(7β,8ξ,9β,13ξ,14β)-3-Hydroxy-7-methylestra-1(10),2,4-trien-17-on [German] [ACD/IUPAC Name]
(7β,8ξ,9β,13ξ,14β)-3-Hydroxy-7-methylestra-1(10),2,4-trien-17-one [ACD/IUPAC Name]
(7β,8ξ,9β,13ξ,14β)-3-Hydroxy-7-méthylestra-1(10),2,4-trién-17-one [French] [ACD/IUPAC Name]
Estra-1(10),2,4-trien-17-one, 3-hydroxy-7-methyl-, (7β,8ξ,9β,13ξ,14β)- [ACD/Index Name]
10448-96-1 [RN]
Almestrone [INN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 448.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 191.2±21.3 °C
Index of Refraction: 1.570
Molar Refractivity: 82.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 382.83
ACD/KOC (pH 5.5): 2457.62
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 382.30
ACD/KOC (pH 7.4): 2454.24
Polar Surface Area: 37 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 252.1±3.0 cm3

Click to predict properties on the Chemicalize site


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