ChemSpider 2D Image | (13alpha,17beta)-17-(3-Furyl)-17-hydroxyestra-1(10),2,4,7-tetraen-3-yl acetate | C24H26O4

(13α,17β)-17-(3-Furyl)-17-hydroxyestra-1(10),2,4,7-tetraen-3-yl acetate

  • Molecular FormulaC24H26O4
  • Average mass378.461 Da
  • Monoisotopic mass378.183105 Da
  • ChemSpider ID88297621

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(13α,17β)-17-(3-Furyl)-17-hydroxyestra-1(10),2,4,7-tetraen-3-yl acetate [ACD/IUPAC Name]
(13α,17β)-17-(3-Furyl)-17-hydroxyestra-1(10),2,4,7-tetraen-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (13α,17β)-17-(3-furyl)-17-hydroxyestra-1(10),2,4,7-tétraén-3-yle [French] [ACD/IUPAC Name]
Estra-1(10),2,4,7-tetraene-3,17-diol, 17-(3-furanyl)-, 3-acetate, (13α,17β)- [ACD/Index Name]
10322-73-3 [RN]
estrofurate [INN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 462.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 233.6±28.7 °C
Index of Refraction: 1.625
Molar Refractivity: 105.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1049.19
ACD/KOC (pH 5.5): 5057.42
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1049.19
ACD/KOC (pH 7.4): 5057.42
Polar Surface Area: 60 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 299.1±5.0 cm3

Click to predict properties on the Chemicalize site


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