ChemSpider 2D Image | Methyl N-(4-{[(8xi,9xi,11alpha,14xi)-3,20-dioxopregn-4-en-11-yl]oxy}-4-oxobutanoyl)-L-tyrosinate | C35H45NO8

Methyl N-(4-{[(8ξ,9ξ,11α,14ξ)-3,20-dioxopregn-4-en-11-yl]oxy}-4-oxobutanoyl)-L-tyrosinate

  • Molecular FormulaC35H45NO8
  • Average mass607.734 Da
  • Monoisotopic mass607.314514 Da
  • ChemSpider ID169061

  • defined stereocentres - 5 of 8 defined stereocentres

More details:

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

L-Tyrosine, N-[4-[[(8ξ,9ξ,11α,14ξ)-3,20-dioxopregn-4-en-11-yl]oxy]-1,4-dioxobutyl]-, methyl ester [ACD/Index Name]
Methyl N-(4-{[(8ξ,9ξ,11α,14ξ)-3,20-dioxopregn-4-en-11-yl]oxy}-4-oxobutanoyl)-L-tyrosinate [ACD/IUPAC Name]
Methyl-N-(4-{[(8ξ,9ξ,11α,14ξ)-3,20-dioxopregn-4-en-11-yl]oxy}-4-oxobutanoyl)-L-tyrosinat [German] [ACD/IUPAC Name]
N-(4-{[(8ξ,9ξ,11α,14ξ)-3,20-Dioxoprégn-4-én-11-yl]oxy}-4-oxobutanoyl)-L-tyrosinate de méthyle [French] [ACD/IUPAC Name]
110988-78-8 [RN]
11-Ptme
Progesterone 11-succinyltyrosine methyl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 788.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.7±3.0 kJ/mol
Flash Point: 430.6±32.9 °C
Index of Refraction: 1.583
Molar Refractivity: 161.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 459.96
ACD/KOC (pH 5.5): 2802.67
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 457.89
ACD/KOC (pH 7.4): 2790.04
Polar Surface Area: 136 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 484.1±5.0 cm3

Click to predict properties on the Chemicalize site


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