ChemSpider 2D Image | N-(4-{[(17beta)-3-Hydroxyestra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoyl)-L-tyrosylglycylglycyl-L-phenylalanyl-L-leucinamide | C50H64N6O10

N-(4-{[(17β)-3-Hydroxyestra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoyl)-L-tyrosylglycylglycyl-L-phenylalanyl-L-leucinamide

  • Molecular FormulaC50H64N6O10
  • Average mass909.077 Da
  • Monoisotopic mass908.468384 Da
  • ChemSpider ID9280087
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

L-Leucinamide, N-[4-[[(17β)-3-hydroxyestra-1,3,5(10)-trien-17-yl]oxy]-1,4-dioxobutyl]-L-tyrosylglycylglycyl-L-phenylalanyl- [ACD/Index Name]
N-(4-{[(17β)-3-Hydroxyestra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoyl)-L-tyrosylglycylglycyl-L-phenylalanyl-L-leucinamid [German] [ACD/IUPAC Name]
N-(4-{[(17β)-3-Hydroxyestra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoyl)-L-tyrosylglycylglycyl-L-phenylalanyl-L-leucinamide [ACD/IUPAC Name]
N-(4-{[(17β)-3-Hydroxyestra-1,3,5(10)-trién-17-yl]oxy}-4-oxobutanoyl)-L-tyrosylglycylglycyl-L-phénylalanyl-L-leucinamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 1248.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 192.7±3.0 kJ/mol
Flash Point: 708.7±34.3 °C
Index of Refraction: 1.630
Molar Refractivity: 245.6±0.4 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 4
ACD/LogP: 5.96
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 413.79
ACD/KOC (pH 5.5): 2596.62
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 412.25
ACD/KOC (pH 7.4): 2586.99
Polar Surface Area: 255 Å2
Polarizability: 97.3±0.5 10-24cm3
Surface Tension: 67.9±5.0 dyne/cm
Molar Volume: 690.3±5.0 cm3

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