ChemSpider 2D Image | (8alpha,9beta,13alpha,14beta)-19-Norpregna-1(10),2,4-trien-20-yne-3,17-diol | C20H24O2

(8α,9β,13α,14β)-19-Norpregna-1(10),2,4-trien-20-yne-3,17-diol

  • Molecular FormulaC20H24O2
  • Average mass296.403 Da
  • Monoisotopic mass296.177643 Da
  • ChemSpider ID64872746

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(8α,9β,13α,14β)-19-Norpregna-1(10),2,4-trien-20-in-3,17-diol [German] [ACD/IUPAC Name]
(8α,9β,13α,14β)-19-Norpregna-1(10),2,4-trien-20-yne-3,17-diol [ACD/IUPAC Name]
(8α,9β,13α,14β)-19-Norprégna-1(10),2,4-trién-20-yne-3,17-diol [French] [ACD/IUPAC Name]
Estra-1(10),2,4-triene-3,17-diol, 17-ethynyl-, (8α,9β,13α,14β,17α)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 457.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.6±3.0 kJ/mol
Flash Point: 211.2±23.3 °C
Index of Refraction: 1.624
Molar Refractivity: 86.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 515.57
ACD/KOC (pH 5.5): 3041.29
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 514.85
ACD/KOC (pH 7.4): 3037.04
Polar Surface Area: 40 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 57.3±5.0 dyne/cm
Molar Volume: 244.5±5.0 cm3

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