ChemSpider 2D Image | (16beta,17beta)-16-Iodoestra-1,3,5(10)-triene-3,17-diol | C18H23IO2

(16β,17β)-16-Iodoestra-1,3,5(10)-triene-3,17-diol

  • Molecular FormulaC18H23IO2
  • Average mass398.279 Da
  • Monoisotopic mass398.074280 Da
  • ChemSpider ID18547796

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(16β,17β)-16-Iodestra-1,3,5(10)-trien-3,17-diol [German] [ACD/IUPAC Name]
(16β,17β)-16-Iodoestra-1,3,5(10)-triene-3,17-diol [ACD/IUPAC Name]
(16β,17β)-16-Iodoestra-1,3,5(10)-triène-3,17-diol [French] [ACD/IUPAC Name]
Estra-1,3,5(10)-triene-3,17-diol, 16-iodo-, (16β,17β)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 509.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 261.9±30.1 °C
Index of Refraction: 1.666
Molar Refractivity: 92.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 517.19
ACD/KOC (pH 5.5): 3048.12
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 516.46
ACD/KOC (pH 7.4): 3043.82
Polar Surface Area: 40 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 59.6±5.0 dyne/cm
Molar Volume: 247.8±5.0 cm3

Click to predict properties on the Chemicalize site


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