ChemSpider 2D Image | Methyl N-{(4-hydroxy-3-methylphenyl)[(2-methylcyclopropyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}valyl)amino]acetyl}glycinate | C26H39N3O7

Methyl N-{(4-hydroxy-3-methylphenyl)[(2-methylcyclopropyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}valyl)amino]acetyl}glycinate

  • Molecular FormulaC26H39N3O7
  • Average mass505.604 Da
  • Monoisotopic mass505.278809 Da
  • ChemSpider ID16531477

More details:






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

Glycine, N-[2-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-methyl-1-oxobutyl](2-methylcyclopropyl)amino]-2-(4-hydroxy-3-methylphenyl)acetyl]-, methyl ester [ACD/Index Name]
Methyl N-{(4-hydroxy-3-methylphenyl)[(2-methylcyclopropyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}valyl)amino]acetyl}glycinate [ACD/IUPAC Name]
Methyl-N-{(4-hydroxy-3-methylphenyl)[(2-methylcyclopropyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}valyl)amino]acetyl}glycinat [German] [ACD/IUPAC Name]
N-{2-(4-Hydroxy-3-méthylphényl)-2-[(2-méthylcyclopropyl)(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}valyl)amino]acétyl}glycinate de méthyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 655.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 350.2±34.3 °C
Index of Refraction: 1.562
Molar Refractivity: 133.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 272.47
ACD/KOC (pH 5.5): 1837.71
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 172.02
ACD/KOC (pH 7.4): 1160.25
Polar Surface Area: 141 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 41.3±7.0 dyne/cm
Molar Volume: 411.6±7.0 cm3

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