ChemSpider 2D Image | (8xi,9xi,10alpha,14xi)-10-[(2S)-2-Oxiranyl]estr-4-ene-3,17-dione | C20H26O3

(8ξ,9ξ,10α,14ξ)-10-[(2S)-2-Oxiranyl]estr-4-ene-3,17-dione

  • Molecular FormulaC20H26O3
  • Average mass314.419 Da
  • Monoisotopic mass314.188202 Da
  • ChemSpider ID23124988

  • defined stereocentres - 2 of 6 defined stereocentres

More details:

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

(8ξ,9ξ,10α,14ξ)-10-[(2S)-2-Oxiranyl]estr-4-en-3,17-dion [German] [ACD/IUPAC Name]
(8ξ,9ξ,10α,14ξ)-10-[(2S)-2-Oxiranyl]estr-4-ene-3,17-dione [ACD/IUPAC Name]
(8ξ,9ξ,10α,14ξ)-10-[(2S)-2-Oxiranyl]estr-4-ène-3,17-dione [French] [ACD/IUPAC Name]
Estr-4-ene-3,17-dione, 10-[(2S)-oξranyl]-, (8ξ,9ξ,10α,14ξ)- [ACD/Index Name]
13-Methyl-10-oxiranyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-2H-cyclopenta[a]phenanthrene-3,17-dione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 479.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 211.3±28.8 °C
Index of Refraction: 1.576
Molar Refractivity: 86.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.49
ACD/KOC (pH 5.5): 353.41
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.49
ACD/KOC (pH 7.4): 353.41
Polar Surface Area: 47 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 260.0±5.0 cm3

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