ChemSpider 2D Image | (16alpha,17beta)-16-(3-Chloropropyl)estra-1(10),2,4-triene-3,17-diol | C21H29ClO2

(16α,17β)-16-(3-Chloropropyl)estra-1(10),2,4-triene-3,17-diol

  • Molecular FormulaC21H29ClO2
  • Average mass348.907 Da
  • Monoisotopic mass348.185608 Da
  • ChemSpider ID26382988

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(16α,17β)-16-(3-Chloropropyl)estra-1(10),2,4-triene-3,17-diol [ACD/IUPAC Name]
(16α,17β)-16-(3-Chloropropyl)estra-1(10),2,4-triène-3,17-diol [French] [ACD/IUPAC Name]
(16α,17β)-16-(3-Chlorpropyl)estra-1(10),2,4-trien-3,17-diol [German] [ACD/IUPAC Name]
Estra-1(10),2,4-triene-3,17-diol, 16-(3-chloropropyl)-, (16α,17β)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 513.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 264.2±30.1 °C
Index of Refraction: 1.574
Molar Refractivity: 98.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 4037.61
ACD/KOC (pH 5.5): 13269.53
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 4032.33
ACD/KOC (pH 7.4): 13252.18
Polar Surface Area: 40 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 298.1±3.0 cm3

Click to predict properties on the Chemicalize site


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