ChemSpider 2D Image | (17beta)-17-Methoxy-3-[(3,3,3-~2~H_3_)propyloxy]estra-1(10),2,4-triene | C22H29D3O2

(17β)-17-Methoxy-3-[(3,3,3-2H3)propyloxy]estra-1(10),2,4-triene

  • Molecular FormulaC22H29D3O2
  • Average mass331.507 Da
  • Monoisotopic mass331.259064 Da
  • ChemSpider ID48063873

  • defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(17β)-17-Methoxy-3-[(3,3,3-2H3)propyloxy]estra-1(10),2,4-trien [German] [ACD/IUPAC Name]
(17β)-17-Methoxy-3-[(3,3,3-2H3)propyloxy]estra-1(10),2,4-triene [ACD/IUPAC Name]
(17β)-17-Méthoxy-3-[(3,3,3-2H3)propyloxy]estra-1(10),2,4-triène [French] [ACD/IUPAC Name]
Estra-1(10),2,4-triene, 17-methoxy-3-(propyl-3,3,3-d3-oxy)-, (17β)- [ACD/Index Name]
1316849-37-2 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 436.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.7±3.0 kJ/mol
Flash Point: 153.3±28.3 °C
Index of Refraction: 1.546
Molar Refractivity: 98.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.48
ACD/LogD (pH 5.5): 5.63
ACD/BCF (pH 5.5): 11109.41
ACD/KOC (pH 5.5): 27383.87
ACD/LogD (pH 7.4): 5.63
ACD/BCF (pH 7.4): 11109.41
ACD/KOC (pH 7.4): 27383.87
Polar Surface Area: 18 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 40.6±5.0 dyne/cm
Molar Volume: 309.6±5.0 cm3

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