ChemSpider 2D Image | N-(4-{[(9xi,11beta,14xi)-11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}-4-oxobutanoyl)leucine | C31H43NO9

N-(4-{[(9ξ,11β,14ξ)-11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}-4-oxobutanoyl)leucine

  • Molecular FormulaC31H43NO9
  • Average mass573.674 Da
  • Monoisotopic mass573.293762 Da
  • ChemSpider ID21345315

  • defined stereocentres - 5 of 8 defined stereocentres

More details:

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

Leucine, N-[4-[[(9ξ,11β,14ξ)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy]-1,4-dioxobutyl]- [ACD/Index Name]
N-(4-{[(9ξ,11β,14ξ)-11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}-4-oxobutanoyl)leucin [German] [ACD/IUPAC Name]
N-(4-{[(9ξ,11β,14ξ)-11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}-4-oxobutanoyl)leucine [ACD/IUPAC Name]
N-(4-{[(9ξ,11β,14ξ)-11,17-Dihydroxy-3,20-dioxoprégna-1,4-dién-21-yl]oxy}-4-oxobutanoyl)leucine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 811.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.3±6.0 kJ/mol
Flash Point: 444.4±34.3 °C
Index of Refraction: 1.584
Molar Refractivity: 147.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.80
ACD/LogD (pH 7.4): -1.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 167 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 60.2±5.0 dyne/cm
Molar Volume: 440.8±5.0 cm3

Click to predict properties on the Chemicalize site


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