ChemSpider 2D Image | (17beta)-2-Iodo-3-methoxyestra-1(10),2,4-trien-17-yl acetate | C21H27IO3

(17β)-2-Iodo-3-methoxyestra-1(10),2,4-trien-17-yl acetate

  • Molecular FormulaC21H27IO3
  • Average mass454.342 Da
  • Monoisotopic mass454.100494 Da
  • ChemSpider ID73976172

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(17β)-2-Iod-3-methoxyestra-1(10),2,4-trien-17-yl-acetat [German] [ACD/IUPAC Name]
(17β)-2-Iodo-3-methoxyestra-1(10),2,4-trien-17-yl acetate [ACD/IUPAC Name]
Acétate de (17β)-2-iodo-3-méthoxyestra-1(10),2,4-trién-17-yle [French] [ACD/IUPAC Name]
Estra-1(10),2,4-trien-17-ol, 2-iodo-3-methoxy-, acetate, (17β)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 480.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.6±3.0 kJ/mol
Flash Point: 244.6±28.7 °C
Index of Refraction: 1.604
Molar Refractivity: 106.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.82
ACD/LogD (pH 5.5): 6.00
ACD/BCF (pH 5.5): 21403.76
ACD/KOC (pH 5.5): 43787.56
ACD/LogD (pH 7.4): 6.00
ACD/BCF (pH 7.4): 21403.76
ACD/KOC (pH 7.4): 43787.56
Polar Surface Area: 36 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 309.7±5.0 cm3

Click to predict properties on the Chemicalize site


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