ChemSpider 2D Image | 4-{[(11beta)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoate | C25H33O8

4-{[(11β)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoate

  • Molecular FormulaC25H33O8
  • Average mass461.525 Da
  • Monoisotopic mass461.218079 Da
  • ChemSpider ID21476747

  • Charge - Charge

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

4-{[(11β)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoat [German] [ACD/IUPAC Name]
4-{[(11β)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoate [ACD/IUPAC Name]
4-{[(11β)-11,17-Dihydroxy-3,20-dioxoprégn-4-én-21-yl]oxy}-4-oxobutanoate [French] [ACD/IUPAC Name]
Butanedioic acid, mono[(11β)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl] ester, ion(1-) [ACD/Index Name]
Hydrocortisone succinate [JP15]

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

Density:
Boiling Point: 685.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 115.0±6.0 kJ/mol
Flash Point: 231.1±25.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 1.04
ACD/KOC (pH 5.5): 16.01
ACD/LogD (pH 7.4): -1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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