ChemSpider 2D Image | 17-Oxoestra-1,3,5(10)-trien-3-yl 2-iodobenzoate | C25H25IO3

17-Oxoestra-1,3,5(10)-trien-3-yl 2-iodobenzoate

  • Molecular FormulaC25H25IO3
  • Average mass500.369 Da
  • Monoisotopic mass500.084839 Da
  • ChemSpider ID111083

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

17-Oxoestra-1,3,5(10)-trien-3-yl 2-iodobenzoate [ACD/IUPAC Name]
17-Oxoestra-1,3,5(10)-trien-3-yl-2-iodbenzoat [German] [ACD/IUPAC Name]
2-Iodobenzoate de 17-oxoestra-1,3,5(10)-trién-3-yle [French] [ACD/IUPAC Name]
Benzoic acid, 2-iodo-, 17-oxoestra-1,3,5(10)-trien-3-yl ester [ACD/Index Name]
Estra-1,3,5(10)-triene-17-one, 3-((2-iodobenzoyl)oxy)-
3-(2-iodobenzoyl)estrone
91999-14-3 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 585.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 307.9±30.1 °C
Index of Refraction: 1.630
Molar Refractivity: 120.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 6.41
ACD/LogD (pH 5.5): 5.78
ACD/BCF (pH 5.5): 14609.57
ACD/KOC (pH 5.5): 33314.66
ACD/LogD (pH 7.4): 5.78
ACD/BCF (pH 7.4): 14609.57
ACD/KOC (pH 7.4): 33314.66
Polar Surface Area: 43 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 339.2±3.0 cm3

Click to predict properties on the Chemicalize site


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