ChemSpider 2D Image | (7beta,8xi,9beta,13alpha,14beta,17alpha)-7-[11-(4-Iodophenoxy)undecyl]estra-1(10),2,4-triene-3,17-diol | C35H49IO3

(7β,8ξ,9β,13α,14β,17α)-7-[11-(4-Iodophenoxy)undecyl]estra-1(10),2,4-triene-3,17-diol

  • Molecular FormulaC35H49IO3
  • Average mass644.666 Da
  • Monoisotopic mass644.272644 Da
  • ChemSpider ID26382740

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(7β,8ξ,9β,13α,14β,17α)-7-[11-(4-Iodophenoxy)undecyl]estra-1(10),2,4-triene-3,17-diol [ACD/IUPAC Name]
(7β,8ξ,9β,13α,14β,17α)-7-[11-(4-Iodophénoxy)undécyl]estra-1(10),2,4-triène-3,17-diol [French] [ACD/IUPAC Name]
(7β,8ξ,9β,13α,14β,17α)-7-[11-(4-Iodphenoxy)undecyl]estra-1(10),2,4-trien-3,17-diol [German] [ACD/IUPAC Name]
Estra-1(10),2,4-triene-3,17-diol, 7-[11-(4-iodophenoxy)undecyl]-, (7β,8ξ,9β,13α,14β,17α)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 697.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 375.4±31.5 °C
Index of Refraction: 1.581
Molar Refractivity: 169.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 12.04
ACD/LogD (pH 5.5): 9.97
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6347814.50
ACD/LogD (pH 7.4): 9.97
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6339588.50
Polar Surface Area: 50 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 509.2±3.0 cm3

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