ChemSpider 2D Image | (7alpha,8xi,13xi,17beta)-7-Methyl-3-oxoestr-4-ene-10,17-diyl diacetate | C23H32O5

(7α,8ξ,13ξ,17β)-7-Methyl-3-oxoestr-4-ene-10,17-diyl diacetate

  • Molecular FormulaC23H32O5
  • Average mass388.497 Da
  • Monoisotopic mass388.224976 Da
  • ChemSpider ID58818422

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(7α,8ξ,13ξ,17β)-7-Methyl-3-oxoestr-4-en-10,17-diyl-diacetat [German] [ACD/IUPAC Name]
(7α,8ξ,13ξ,17β)-7-Methyl-3-oxoestr-4-ene-10,17-diyl diacetate [ACD/IUPAC Name]
Diacétate de (7α,8ξ,13ξ,17β)-7-méthyl-3-oxoestr-4-ène-10,17-diyle [French] [ACD/IUPAC Name]
Estr-4-en-3-one, 10,17-bis(acetyloxy)-7-methyl-, (7α,8ξ,13ξ,17β)- [ACD/Index Name]
7-methyl-10,17-diacetoxy-4-estren-3-one
96723-97-6 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 489.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 210.6±28.8 °C
Index of Refraction: 1.540
Molar Refractivity: 103.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 406.75
ACD/KOC (pH 5.5): 2566.63
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 406.75
ACD/KOC (pH 7.4): 2566.63
Polar Surface Area: 70 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 44.8±5.0 dyne/cm
Molar Volume: 330.9±5.0 cm3

Click to predict properties on the Chemicalize site


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