ChemSpider 2D Image | (2beta,3beta,5alpha,9beta,14beta,17alpha)-21-Chloro-3-hydroxy-2-(4-morpholinyl)pregnan-20-one | C25H40ClNO3

(2β,3β,5α,9β,14β,17α)-21-Chloro-3-hydroxy-2-(4-morpholinyl)pregnan-20-one

  • Molecular FormulaC25H40ClNO3
  • Average mass438.043 Da
  • Monoisotopic mass437.269684 Da
  • ChemSpider ID32821976

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2β,3β,5α,9β,14β,17α)-21-Chlor-3-hydroxy-2-(4-morpholinyl)pregnan-20-on [German] [ACD/IUPAC Name]
(2β,3β,5α,9β,14β,17α)-21-Chloro-3-hydroxy-2-(4-morpholinyl)pregnan-20-one [ACD/IUPAC Name]
(2β,3β,5α,9β,14β,17α)-21-Chloro-3-hydroxy-2-(4-morpholinyl)prégnan-20-one [French] [ACD/IUPAC Name]
Pregnan-20-one, 21-chloro-3-hydroxy-2-(4-morpholinyl)-, (2β,3β,5α,9β,14β,17α)- [ACD/Index Name]
156685-94-8 [RN]
2-chloro-1-((2S,3R,5S,8R,9R,10S,13S,14R,17R)-3-hydroxy-10,13-dimethyl-2-morpholinohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
Org 20599 [Wiki]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 544.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.6±6.0 kJ/mol
Flash Point: 283.0±30.1 °C
Index of Refraction: 1.546
Molar Refractivity: 119.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 14.11
ACD/KOC (pH 5.5): 76.64
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 424.15
ACD/KOC (pH 7.4): 2303.34
Polar Surface Area: 50 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 376.0±3.0 cm3

Click to predict properties on the Chemicalize site


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