ChemSpider 2D Image | Methyl N-{(2,3-dimethylphenyl)[(2-hydroxyethyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosyl)amino]acetyl}glycinate | C29H39N3O8

Methyl N-{(2,3-dimethylphenyl)[(2-hydroxyethyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosyl)amino]acetyl}glycinate

  • Molecular FormulaC29H39N3O8
  • Average mass557.635 Da
  • Monoisotopic mass557.273743 Da
  • ChemSpider ID16558777

More details:

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

Glycine, N-[2-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl](2-hydroxyethyl)amino]-2-(2,3-dimethylphenyl)acetyl]-, methyl ester [ACD/Index Name]
Methyl N-{(2,3-dimethylphenyl)[(2-hydroxyethyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosyl)amino]acetyl}glycinate [ACD/IUPAC Name]
Methyl-N-{(2,3-dimethylphenyl)[(2-hydroxyethyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosyl)amino]acetyl}glycinat [German] [ACD/IUPAC Name]
N-{2-(2,3-Diméthylphényl)-2-[(2-hydroxyéthyl)(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}tyrosyl)amino]acétyl}glycinate de méthyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 757.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.7±3.0 kJ/mol
Flash Point: 411.6±35.7 °C
Index of Refraction: 1.561
Molar Refractivity: 148.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 6.09
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 161.76
ACD/KOC (pH 5.5): 1295.06
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 86.46
ACD/KOC (pH 7.4): 692.24
Polar Surface Area: 161 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 43.8±7.0 dyne/cm
Molar Volume: 458.7±7.0 cm3

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