ChemSpider 2D Image | 2561 | C22H29ClO3

2561

  • Molecular FormulaC22H29ClO3
  • Average mass376.917 Da
  • Monoisotopic mass376.180511 Da
  • ChemSpider ID32701810
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(16α)-6-Chlor-17-hydroxy-16-methylpregna-4,6-dien-3,20-dion [German] [ACD/IUPAC Name]
(16α)-6-Chloro-17-hydroxy-16-methylpregna-4,6-diene-3,20-dione [ACD/IUPAC Name]
(16α)-6-Chloro-17-hydroxy-16-méthylprégna-4,6-diène-3,20-dione [French] [ACD/IUPAC Name]
2561
5367-84-0 [RN]
CLOMEGESTONE
Pregna-4,6-diene-3,20-dione, 6-chloro-17-hydroxy-16-methyl-, (16α)- [ACD/Index Name]
ZHW74QJU5V
UNII:ZHW74QJU5V
UNII-ZHW74QJU5V

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

Density: 1.2±0.1 g/cm3
Boiling Point: 511.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.0±6.0 kJ/mol
Flash Point: 262.9±30.1 °C
Index of Refraction: 1.575
Molar Refractivity: 101.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 317.53
ACD/KOC (pH 5.5): 2149.73
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 317.53
ACD/KOC (pH 7.4): 2149.73
Polar Surface Area: 54 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 47.8±5.0 dyne/cm
Molar Volume: 307.4±5.0 cm3

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