ChemSpider 2D Image | (2beta,3beta,6beta,17alpha)-6-Chloro-3-hydroxy-17-methyl-2,19-epoxy-18-norpregna-4,13-dien-19-one | C21H27ClO3

(2β,3β,6β,17α)-6-Chloro-3-hydroxy-17-methyl-2,19-epoxy-18-norpregna-4,13-dien-19-one

  • Molecular FormulaC21H27ClO3
  • Average mass362.890 Da
  • Monoisotopic mass362.164886 Da
  • ChemSpider ID58196859

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2β,3β,6β,17α)-6-Chlor-3-hydroxy-17-methyl-2,19-epoxy-18-norpregna-4,13-dien-19-on [German] [ACD/IUPAC Name]
(2β,3β,6β,17α)-6-Chloro-3-hydroxy-17-methyl-2,19-epoxy-18-norpregna-4,13-dien-19-one [ACD/IUPAC Name]
(2β,3β,6β,17α)-6-Chloro-3-hydroxy-17-méthyl-2,19-époxy-18-norprégna-4,13-dién-19-one [French] [ACD/IUPAC Name]
5H-3,5a-Methano-3H-cyclopenta[5,6]naphth[1,2-c]oxepin-5-one, 12-chloro-8-ethyl-2,5b,6,7,8,9,10,10b,11,12-decahydro-2-hydroxy-8-methyl-, (2R,3S,5aS,5bS,8R,10bR,12R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 565.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.5±6.0 kJ/mol
Flash Point: 295.5±30.1 °C
Index of Refraction: 1.600
Molar Refractivity: 96.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 824.72
ACD/KOC (pH 5.5): 4256.91
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 824.72
ACD/KOC (pH 7.4): 4256.90
Polar Surface Area: 47 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 281.7±5.0 cm3

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