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Search term: PDYZTYQFBVSZTJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (17beta)-17-Hydroxyestra-1,3,5(10)-trien-3-yl 2-iodobenzoate | C25H27IO3

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

  • Molecular FormulaC25H27IO3
  • Average mass502.385 Da
  • Monoisotopic mass502.100494 Da
  • ChemSpider ID60704

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(17β)-17-Hydroxyestra-1,3,5(10)-trien-3-yl 2-iodobenzoate [ACD/IUPAC Name]
(17β)-17-Hydroxyestra-1,3,5(10)-trien-3-yl-2-iodbenzoat [German] [ACD/IUPAC Name]
2-Iodobenzoate de (17β)-17-hydroxyestra-1,3,5(10)-trién-3-yle [French] [ACD/IUPAC Name]
Benzoic acid, 2-iodo-, (17β)-17-hydroxyestra-1,3,5(10)-trien-3-yl ester [ACD/Index Name]
3-(2-Iodobenzoyl)estradiol
91999-13-2 [RN]
Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-(2-iodobenzoate)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 586.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 308.3±30.1 °C
Index of Refraction: 1.639
Molar Refractivity: 122.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 6.85
ACD/LogD (pH 5.5): 6.00
ACD/BCF (pH 5.5): 21537.16
ACD/KOC (pH 5.5): 43982.75
ACD/LogD (pH 7.4): 6.00
ACD/BCF (pH 7.4): 21537.16
ACD/KOC (pH 7.4): 43982.75
Polar Surface Area: 47 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 339.7±3.0 cm3

Click to predict properties on the Chemicalize site


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