ChemSpider 2D Image | (6alpha,11beta)-11,17-Dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl palmitate | C38H60O6

(6α,11β)-11,17-Dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl palmitate

  • Molecular FormulaC38H60O6
  • Average mass612.879 Da
  • Monoisotopic mass612.438965 Da
  • ChemSpider ID7984861

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(6α,11β)-11,17-Dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl palmitate [ACD/IUPAC Name]
(6α,11β)-11,17-Dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-ylpalmitat [German] [ACD/IUPAC Name]
Hexadecanoic acid, (6α,11β)-11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl ester [ACD/Index Name]
Palmitate de (6α,11β)-11,17-dihydroxy-6-méthyl-3,20-dioxoprégna-1,4-dién-21-yle [French] [ACD/IUPAC 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: 711.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 118.9±6.0 kJ/mol
Flash Point: 210.5±26.4 °C
Index of Refraction: 1.542
Molar Refractivity: 174.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 10.51
ACD/LogD (pH 5.5): 9.93
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5977115.50
ACD/LogD (pH 7.4): 9.93
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5977043.00
Polar Surface Area: 101 Å2
Polarizability: 69.2±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 554.4±5.0 cm3

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