ChemSpider 2D Image | Methyl N-{[2-(1,3-benzodioxol-5-ylmethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}alanyl-beta-alanylglycinate | C26H26N4O9

Methyl N-{[2-(1,3-benzodioxol-5-ylmethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}alanyl-β-alanylglycinate

  • Molecular FormulaC26H26N4O9
  • Average mass538.506 Da
  • Monoisotopic mass538.169983 Da
  • ChemSpider ID121049195

More details:

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

Glycine, N-[[2-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-5-yl]carbonyl]alanyl-β-alanyl-, methyl ester [ACD/Index Name]
Methyl N-{[2-(1,3-benzodioxol-5-ylmethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}alanyl-β-alanylglycinate [ACD/IUPAC Name]
MethylN-{[2-(1,3-benzodioxol-5-ylmethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}alanyl-β-alanylglycinat [German] [ACD/IUPAC Name]
N-{[2-(1,3-Benzodioxol-5-ylméthyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}alanyl-β-alanylglycinate de méthyle [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: 847.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.2±3.0 kJ/mol
Flash Point: 466.6±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 132.6±0.3 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 0.39
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.26
ACD/KOC (pH 5.5): 41.03
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.26
ACD/KOC (pH 7.4): 41.03
Polar Surface Area: 169 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 63.5±3.0 dyne/cm
Molar Volume: 380.2±3.0 cm3

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