ChemSpider 2D Image | 3-Hydroxy-3-(2-iodobenzoyl)estra-1(10),4-dien-17-one | C25H27IO3

3-Hydroxy-3-(2-iodobenzoyl)estra-1(10),4-dien-17-one

  • Molecular FormulaC25H27IO3
  • Average mass502.384 Da
  • Monoisotopic mass502.100494 Da
  • ChemSpider ID19980794

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

3-Hydroxy-3-(2-iodbenzoyl)estra-1(10),4-dien-17-on [German] [ACD/IUPAC Name]
3-Hydroxy-3-(2-iodobenzoyl)estra-1(10),4-dien-17-one [ACD/IUPAC Name]
3-Hydroxy-3-(2-iodobenzoyl)estra-1(10),4-dién-17-one [French] [ACD/IUPAC Name]
Estra-1(10),4-dien-17-one, 3-hydroxy-3-(2-iodobenzoyl)- [ACD/Index Name]
3-(2-iodobenzoyl)estrone

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

Density: 1.5±0.1 g/cm3
Boiling Point: 631.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 335.7±31.5 °C
Index of Refraction: 1.665
Molar Refractivity: 120.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1243.78
ACD/KOC (pH 5.5): 5712.36
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1243.65
ACD/KOC (pH 7.4): 5711.76
Polar Surface Area: 54 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 59.7±5.0 dyne/cm
Molar Volume: 324.7±5.0 cm3

Click to predict properties on the Chemicalize site


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