ChemSpider 2D Image | 3,20-Dioxopregn-4-en-17-yl 10-chloro-9-oxodecanoate | C31H45ClO5

3,20-Dioxopregn-4-en-17-yl 10-chloro-9-oxodecanoate

  • Molecular FormulaC31H45ClO5
  • Average mass533.139 Da
  • Monoisotopic mass532.295532 Da
  • ChemSpider ID165907

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

10-Chloro-9-oxodécanoate de 3,20-dioxoprégn-4-én-17-yle [French] [ACD/IUPAC Name]
3,20-Dioxopregn-4-en-17-yl 10-chloro-9-oxodecanoate [ACD/IUPAC Name]
3,20-Dioxopregn-4-en-17-yl-10-chlor-9-oxodecanoat [German] [ACD/IUPAC Name]
Decanoic acid, 10-chloro-9-oxo-, 3,20-dioxopregn-4-en-17-yl ester [ACD/Index Name]
Pregn-4-ene-3,20-dione, 17-((10-chloro-1,9-dioxodecyl)oxy)-
17-HYDROXYPROG ESTERONE 17-(9-OXO-10-CHLORODECANOATE)
17-hydroxyprogesterone 17-(9-oxo-10-chlorodecanoate)
40946-49-4 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 643.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 184.2±30.5 °C
Index of Refraction: 1.538
Molar Refractivity: 144.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.94
ACD/LogD (pH 5.5): 5.63
ACD/BCF (pH 5.5): 11132.72
ACD/KOC (pH 5.5): 27424.97
ACD/LogD (pH 7.4): 5.63
ACD/BCF (pH 7.4): 11132.72
ACD/KOC (pH 7.4): 27424.97
Polar Surface Area: 78 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 461.0±5.0 cm3

Click to predict properties on the Chemicalize site


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