ChemSpider 2D Image | 21-chloro-9-fluoro-11?,17-dihydroxy-16?-((2-methyl-2-propenyl)oxy)pregna-1,4,diene-3,20-dione | C25H32ClFO5

21-chloro-9-fluoro-11?,17-dihydroxy-16?-((2-methyl-2-propenyl)oxy)pregna-1,4,diene-3,20-dione

  • Molecular FormulaC25H32ClFO5
  • Average mass466.970 Da
  • Monoisotopic mass466.192230 Da
  • ChemSpider ID34991745

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(11β,16α)-21-Chlor-9-fluor-11,17-dihydroxy-16-[(2-methyl-2-propen-1-yl)oxy]pregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(11β,16α)-21-Chloro-9-fluoro-11,17-dihydroxy-16-[(2-methyl-2-propen-1-yl)oxy]pregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(11β,16α)-21-Chloro-9-fluoro-11,17-dihydroxy-16-[(2-méthyl-2-propén-1-yl)oxy]prégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
21-chloro-9-fluoro-11?,17-dihydroxy-16?-((2-methyl-2-propenyl)oxy)pregna-1,4,diene-3,20-dione
57331-56-3 [RN]
Pregna-1,4-diene-3,20-dione, 21-chloro-9-fluoro-11,17-dihydroxy-16-[(2-methyl-2-propen-1-yl)oxy]-, (11β,16α)- [ACD/Index Name]
21-CHLORO-9-FLUORO-11β,17-DIHYDROXY-16α-((2-METHYL-2-PROPENYL)OXY)PREGNA-1,4,DIENE-3,20-DIONE

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

K013QIU9IH [DBID]
UNII:K013QIU9IH [DBID]
UNII-K013QIU9IH [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 602.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.9±6.0 kJ/mol
Flash Point: 318.3±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 118.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 127.65
ACD/KOC (pH 5.5): 1119.72
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 127.64
ACD/KOC (pH 7.4): 1119.58
Polar Surface Area: 84 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 359.7±5.0 cm3

Click to predict properties on the Chemicalize site


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