ChemSpider 2D Image | (17alpha,20E)-21-Chloro-21-iodo-19-norpregna-1(10),2,4,20-tetraene-3,17-diol | C20H24ClIO2

(17α,20E)-21-Chloro-21-iodo-19-norpregna-1(10),2,4,20-tetraene-3,17-diol

  • Molecular FormulaC20H24ClIO2
  • Average mass458.761 Da
  • Monoisotopic mass458.050934 Da
  • ChemSpider ID26382256
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(17α,20E)-21-Chlor-21-iod-19-norpregna-1(10),2,4,20-tetraen-3,17-diol [German] [ACD/IUPAC Name]
(17α,20E)-21-Chloro-21-iodo-19-norpregna-1(10),2,4,20-tetraene-3,17-diol [ACD/IUPAC Name]
(17α,20E)-21-Chloro-21-iodo-19-norprégna-1(10),2,4,20-tétraène-3,17-diol [French] [ACD/IUPAC Name]
Estra-1(10),2,4-triene-3,17-diol, 17-[(E)-2-chloro-2-iodoethenyl]-, (17β)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 544.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 282.9±30.1 °C
Index of Refraction: 1.698
Molar Refractivity: 108.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.56
ACD/LogD (pH 5.5): 5.77
ACD/BCF (pH 5.5): 14224.61
ACD/KOC (pH 5.5): 32683.75
ACD/LogD (pH 7.4): 5.77
ACD/BCF (pH 7.4): 14204.12
ACD/KOC (pH 7.4): 32636.66
Polar Surface Area: 40 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 280.5±3.0 cm3

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