ChemSpider 2D Image | (3beta,11beta,13xi,17xi)-11-Methyl-19-norpregn-4-en-20-yne-3,17-diyl diacetate | C25H34O4

(3β,11β,13ξ,17ξ)-11-Methyl-19-norpregn-4-en-20-yne-3,17-diyl diacetate

  • Molecular FormulaC25H34O4
  • Average mass398.535 Da
  • Monoisotopic mass398.245697 Da
  • ChemSpider ID58816838

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(3β,11β,13ξ,17ξ)-11-Methyl-19-norpregn-4-en-20-in-3,17-diyl-diacetat [German] [ACD/IUPAC Name]
(3β,11β,13ξ,17ξ)-11-Methyl-19-norpregn-4-en-20-yne-3,17-diyl diacetate [ACD/IUPAC Name]
Diacétate de (3β,11β,13ξ,17ξ)-11-méthyl-19-norprégn-4-én-20-yne-3,17-diyle [French] [ACD/IUPAC Name]
Estr-4-ene-3,17-diol, 17-ethynyl-11-methyl-, diacetate, (3β,11β,13ξ)- [ACD/Index Name]
23163-51-1 [RN]
METHYNODIOL

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

Density: 1.1±0.1 g/cm3
Boiling Point: 468.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 224.6±27.1 °C
Index of Refraction: 1.542
Molar Refractivity: 110.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 5.66
ACD/BCF (pH 5.5): 11826.52
ACD/KOC (pH 5.5): 28637.80
ACD/LogD (pH 7.4): 5.66
ACD/BCF (pH 7.4): 11826.52
ACD/KOC (pH 7.4): 28637.80
Polar Surface Area: 53 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 351.9±5.0 cm3

Click to predict properties on the Chemicalize site


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