ChemSpider 2D Image | (16alpha,17beta)-16-(3-Bromopropyl)estra-1,3,5(10)-triene-3,17-diol | C21H29BrO2

(16α,17β)-16-(3-Bromopropyl)estra-1,3,5(10)-triene-3,17-diol

  • Molecular FormulaC21H29BrO2
  • Average mass393.358 Da
  • Monoisotopic mass392.135071 Da
  • ChemSpider ID19832915

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(16α,17β)-16-(3-Bromopropyl)estra-1,3,5(10)-triene-3,17-diol [ACD/IUPAC Name]
(16α,17β)-16-(3-Bromopropyl)estra-1,3,5(10)-triène-3,17-diol [French] [ACD/IUPAC Name]
(16α,17β)-16-(3-Brompropyl)estra-1,3,5(10)-trien-3,17-diol [German] [ACD/IUPAC Name]
Estra-1,3,5(10)-triene-3,17-diol, 16-(3-bromopropyl)-, (16α,17β)- [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: 525.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 271.7±30.1 °C
Index of Refraction: 1.590
Molar Refractivity: 101.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 5.18
ACD/BCF (pH 5.5): 5124.82
ACD/KOC (pH 5.5): 15739.05
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 5118.12
ACD/KOC (pH 7.4): 15718.45
Polar Surface Area: 40 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 299.9±3.0 cm3

Click to predict properties on the Chemicalize site


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