ChemSpider 2D Image | (3alpha,10alpha,14beta,17alpha)-3-[(2R)-Tetrahydro-2H-pyran-2-yloxy]pregn-5-en-20-one | C26H40O3

(3α,10α,14β,17α)-3-[(2R)-Tetrahydro-2H-pyran-2-yloxy]pregn-5-en-20-one

  • Molecular FormulaC26H40O3
  • Average mass400.594 Da
  • Monoisotopic mass400.297760 Da
  • ChemSpider ID62680635

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3α,10α,14β,17α)-3-[(2R)-Tetrahydro-2H-pyran-2-yloxy]pregn-5-en-20-on [German] [ACD/IUPAC Name]
(3α,10α,14β,17α)-3-[(2R)-Tetrahydro-2H-pyran-2-yloxy]pregn-5-en-20-one [ACD/IUPAC Name]
(3α,10α,14β,17α)-3-[(2R)-Tétrahydro-2H-pyran-2-yloxy]prégn-5-én-20-one [French] [ACD/IUPAC Name]
(3β,9β,10α,14β,17α)-3-[(2R)-Tetrahydro-2H-pyran-2-yloxy]pregn-5-en-20-on [German] [ACD/IUPAC Name]
(3β,9β,10α,14β,17α)-3-[(2R)-Tetrahydro-2H-pyran-2-yloxy]pregn-5-en-20-one [ACD/IUPAC Name]
(3β,9β,10α,14β,17α)-3-[(2R)-Tétrahydro-2H-pyran-2-yloxy]prégn-5-én-20-one [French] [ACD/IUPAC Name]
Pregn-5-en-20-one, 3-[[(2R)-tetrahydro-2H-pyran-2-yl]oxy]-, (3α,10α,14β,17α)- [ACD/Index Name]
Pregn-5-en-20-one, 3-[[(2R)-tetrahydro-2H-pyran-2-yl]oxy]-, (3β,9β,10α,14β,17α)- [ACD/Index 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: 508.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 254.0±16.5 °C
Index of Refraction: 1.541
Molar Refractivity: 115.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.46
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 4713.08
ACD/KOC (pH 5.5): 14823.28
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 4713.08
ACD/KOC (pH 7.4): 14823.28
Polar Surface Area: 36 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 41.8±5.0 dyne/cm
Molar Volume: 367.5±5.0 cm3

Click to predict properties on the Chemicalize site


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