ChemSpider 2D Image | 17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl undecanoate | C32H48O6

17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl undecanoate

  • Molecular FormulaC32H48O6
  • Average mass528.720 Da
  • Monoisotopic mass528.345093 Da
  • ChemSpider ID99826

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl undecanoate [ACD/IUPAC Name]
17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl-undecanoat [German] [ACD/IUPAC Name]
229-964-2 [EINECS]
6865-15-2 [RN]
Pregn-4-ene-3,11,20-trione, 17-hydroxy-21-[(1-oxoundecyl)oxy]-
Undécanoate de 17-hydroxy-3,11,20-trioxoprégn-4-én-21-yle [French] [ACD/IUPAC Name]
Undecanoic acid, 17-hydroxy-3,11,20-trioxopregn-4-en-21-yl ester [ACD/Index Name]
17,21-dihydroxypregn-4-ene-3,11,20-trione 21-undecanoate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 659.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.2±6.0 kJ/mol
Flash Point: 205.2±25.0 °C
Index of Refraction: 1.541
Molar Refractivity: 145.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.31
ACD/LogD (pH 5.5): 6.95
ACD/BCF (pH 5.5): 113171.65
ACD/KOC (pH 5.5): 144226.08
ACD/LogD (pH 7.4): 6.95
ACD/BCF (pH 7.4): 113169.91
ACD/KOC (pH 7.4): 144223.86
Polar Surface Area: 98 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 463.1±5.0 cm3

Click to predict properties on the Chemicalize site


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