ChemSpider 2D Image | (8alpha,14beta)-3,20-Dioxopregn-4-en-17-yl heptanoate | C28H42O4

(8α,14β)-3,20-Dioxopregn-4-en-17-yl heptanoate

  • Molecular FormulaC28H42O4
  • Average mass442.631 Da
  • Monoisotopic mass442.308319 Da
  • ChemSpider ID62438838

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(8α,14β)-3,20-Dioxopregn-4-en-17-yl heptanoate [ACD/IUPAC Name]
(8α,14β)-3,20-Dioxopregn-4-en-17-yl-heptanoat [German] [ACD/IUPAC Name]
(9β,10α,14β)-3,20-Dioxopregn-4-en-17-yl heptanoate [ACD/IUPAC Name]
(9β,10α,14β)-3,20-Dioxopregn-4-en-17-yl-heptanoat [German] [ACD/IUPAC Name]
Heptanoate de (8α,14β)-3,20-dioxoprégn-4-én-17-yle [French] [ACD/IUPAC Name]
Heptanoate de (9β,10α,14β)-3,20-dioxoprégn-4-én-17-yle [French] [ACD/IUPAC Name]
Heptanoic acid, (8α,14β)-3,20-dioxopregn-4-en-17-yl ester [ACD/Index Name]
Heptanoic acid, (9β,10α,14β)-3,20-dioxopregn-4-en-17-yl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 547.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 231.4±30.2 °C
Index of Refraction: 1.531
Molar Refractivity: 125.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.27
ACD/LogD (pH 5.5): 6.21
ACD/BCF (pH 5.5): 30687.56
ACD/KOC (pH 5.5): 56669.86
ACD/LogD (pH 7.4): 6.21
ACD/BCF (pH 7.4): 30687.56
ACD/KOC (pH 7.4): 56669.86
Polar Surface Area: 60 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 43.0±5.0 dyne/cm
Molar Volume: 404.7±5.0 cm3

Click to predict properties on the Chemicalize site


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