ChemSpider 2D Image | 3-Methylphenyl N-{[2-(1-carboxyethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}tyrosylglycinate | C30H27N3O9

3-Methylphenyl N-{[2-(1-carboxyethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}tyrosylglycinate

  • Molecular FormulaC30H27N3O9
  • Average mass573.550 Da
  • Monoisotopic mass573.174744 Da
  • ChemSpider ID121007712

More details:

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

3-Methylphenyl N-{[2-(1-carboxyethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}tyrosylglycinate [ACD/IUPAC Name]
3-MethylphenylN-{[2-(1-carboxyethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}tyrosylglycinat [German] [ACD/IUPAC Name]
Glycine, N-[[2-(1-carboxyethyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-5-yl]carbonyl]tyrosyl-, 3-methylphenyl ester [ACD/Index Name]
N-{[2-(1-Carboxyéthyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}tyrosylglycinate de 3-méthylphényle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 906.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.1±3.0 kJ/mol
Flash Point: 502.0±34.3 °C
Index of Refraction: 1.646
Molar Refractivity: 146.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.77
ACD/LogD (pH 7.4): -1.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 179 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 68.6±3.0 dyne/cm
Molar Volume: 402.9±3.0 cm3

Click to predict properties on the Chemicalize site


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