ChemSpider 2D Image | Diethyl acetamido{3-({[(2-methyl-2-propanyl)oxy]carbonyl}oxy)-4-[(2-nitrobenzyl)oxy]benzyl}malonate | C28H34N2O11

Diethyl acetamido{3-({[(2-methyl-2-propanyl)oxy]carbonyl}oxy)-4-[(2-nitrobenzyl)oxy]benzyl}malonate

  • Molecular FormulaC28H34N2O11
  • Average mass574.576 Da
  • Monoisotopic mass574.216248 Da
  • ChemSpider ID74822659

More details:

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

Acétamido{3-({[(2-méthyl-2-propanyl)oxy]carbonyl}oxy)-4-[(2-nitrobenzyl)oxy]benzyl}malonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl acetamido{3-({[(2-methyl-2-propanyl)oxy]carbonyl}oxy)-4-[(2-nitrobenzyl)oxy]benzyl}malonate [ACD/IUPAC Name]
Diethyl-acetamido{3-({[(2-methyl-2-propanyl)oxy]carbonyl}oxy)-4-[(2-nitrobenzyl)oxy]benzyl}malonat [German] [ACD/IUPAC Name]
Propanedioic acid, 2-(acetylamino)-2-[[3-[[(1,1-dimethylethoxy)carbonyl]oxy]-4-[(2-nitrophenyl)methoxy]phenyl]methyl]-, diethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 705.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 380.6±32.9 °C
Index of Refraction: 1.545
Molar Refractivity: 144.7±0.3 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 900.32
ACD/KOC (pH 5.5): 4532.70
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 900.29
ACD/KOC (pH 7.4): 4532.56
Polar Surface Area: 172 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 457.4±3.0 cm3

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