ChemSpider 2D Image | (17beta)-(2,4,16,16,17-~2~H_5_)Estra-1(10),2,4,7-tetraene-3,17-diol | C18H17D5O2

(17β)-(2,4,16,16,17-2H5)Estra-1(10),2,4,7-tetraene-3,17-diol

  • Molecular FormulaC18H17D5O2
  • Average mass275.397 Da
  • Monoisotopic mass275.193359 Da
  • ChemSpider ID24533193

  • defined stereocentres - 1 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(17β)-(2,4,16,16,17-2H5)Estra-1(10),2,4,7-tetraen-3,17-diol [German] [ACD/IUPAC Name]
(17β)-(2,4,16,16,17-2H5)Estra-1(10),2,4,7-tetraene-3,17-diol [ACD/IUPAC Name]
(17β)-(2,4,16,16,17-2H5)Estra-1(10),2,4,7-tétraène-3,17-diol [French] [ACD/IUPAC Name]
Estra-1(10),2,4,7-tetraene-2,4,16,16,17-d5-3,17-diol, (17β)- [ACD/Index Name]
17β-Dihydroequilin-2,4,16,16,17-d5

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

Density: 1.2±0.1 g/cm3
Boiling Point: 457.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.7±3.0 kJ/mol
Flash Point: 217.2±23.3 °C
Index of Refraction: 1.637
Molar Refractivity: 78.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 229.45
ACD/KOC (pH 5.5): 1703.69
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 229.06
ACD/KOC (pH 7.4): 1700.76
Polar Surface Area: 40 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 219.9±5.0 cm3

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