ChemSpider 2D Image | (9beta,14beta)-Estra-1,3,5(10),16-tetraen-3-ol | C18H22O

(9β,14β)-Estra-1,3,5(10),16-tetraen-3-ol

  • Molecular FormulaC18H22O
  • Average mass254.367 Da
  • Monoisotopic mass254.167068 Da
  • ChemSpider ID107443578

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(9β,14β)-Estra-1,3,5(10),16-tetraen-3-ol [German] [ACD/IUPAC Name]
(9β,14β)-Estra-1,3,5(10),16-tetraen-3-ol [ACD/IUPAC Name]
(9β,14β)-Estra-1,3,5(10),16-tétraén-3-ol [French] [ACD/IUPAC Name]
Estra-1,3,5(10),16-tetraen-3-ol, (9β,14β)- [ACD/Index Name]
1150-90-9 [RN]
28456-66-8 [RN]
Estra-1,3,5(10),16-tetraen-3-ol [ACD/Index Name] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 400.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.6±3.0 kJ/mol
Flash Point: 180.6±18.4 °C
Index of Refraction: 1.592
Molar Refractivity: 77.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2061.67
ACD/KOC (pH 5.5): 8201.91
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2061.67
ACD/KOC (pH 7.4): 8201.91
Polar Surface Area: 20 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 228.9±3.0 cm3

Click to predict properties on the Chemicalize site


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