ChemSpider 2D Image | (17β)-4-Iodoestra-1,3,5(10)-triene-3,17-diol | C18H23IO2

(17β)-4-Iodoestra-1,3,5(10)-triene-3,17-diol

  • Molecular FormulaC18H23IO2
  • Average mass398.279 Da
  • Monoisotopic mass398.074280 Da
  • ChemSpider ID18528842

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(17β)-4-Iodoestra-1,3,5(10)-triene-3,17-diol
(17β)-4-Iodestra-1,3,5(10)-trien-3,17-diol [German] [ACD/IUPAC Name]
(17β)-4-Iodoestra-1,3,5(10)-triene-3,17-diol [ACD/IUPAC Name]
(17β)-4-Iodoestra-1,3,5(10)-triène-3,17-diol [French] [ACD/IUPAC Name]
61748-87-6 [RN]
Estra-1,3,5(10)-triene-3,17-diol, 4-iodo-, (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: 449.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.7±3.0 kJ/mol
Flash Point: 225.9±28.7 °C
Index of Refraction: 1.646
Molar Refractivity: 92.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 1299.04
ACD/KOC (pH 5.5): 5892.17
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1254.75
ACD/KOC (pH 7.4): 5691.25
Polar Surface Area: 40 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 254.7±3.0 cm3

Click to predict properties on the Chemicalize site


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