ChemSpider 2D Image | (17beta)-2,3,4-Trimethoxyestra-1,3,5(10)-trien-17-ol | C21H30O4

(17β)-2,3,4-Trimethoxyestra-1,3,5(10)-trien-17-ol

  • Molecular FormulaC21H30O4
  • Average mass346.461 Da
  • Monoisotopic mass346.214417 Da
  • ChemSpider ID20055759
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(17β)-2,3,4-Trimethoxyestra-1,3,5(10)-trien-17-ol [ACD/IUPAC Name]
(17β)-2,3,4-Trimethoxyestra-1,3,5(10)-trien-17-ol [German] [ACD/IUPAC Name]
(17β)-2,3,4-Triméthoxyestra-1,3,5(10)-trién-17-ol [French] [ACD/IUPAC Name]
Estra-1,3,5(10)-trien-17-ol, 2,3,4-trimethoxy-, (17β)-
Estra-1,3,5(10)-trien-17-ol, 2,3,4-trimethoxy-, (17β)- [ACD/Index Name]
Estra-1,3,5(10)-trien-17β-ol, 2,3,4-trimethoxy-
4314-54-9 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 473.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.6±3.0 kJ/mol
Flash Point: 240.4±28.7 °C
Index of Refraction: 1.551
Molar Refractivity: 97.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 458.60
ACD/KOC (pH 5.5): 2796.76
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 458.60
ACD/KOC (pH 7.4): 2796.76
Polar Surface Area: 48 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 306.2±3.0 cm3

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