ChemSpider 2D Image | Diethyl 2-{[4-(benzyloxy)-2-{[(benzyloxy)carbonyl]amino}-4-oxobutanoyl]amino}succinate | C27H32N2O9

Diethyl 2-{[4-(benzyloxy)-2-{[(benzyloxy)carbonyl]amino}-4-oxobutanoyl]amino}succinate

  • Molecular FormulaC27H32N2O9
  • Average mass528.551 Da
  • Monoisotopic mass528.210754 Da
  • ChemSpider ID241204

More details:

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

2-{[4-(Benzyloxy)-2-{[(benzyloxy)carbonyl]amino}-4-oxobutanoyl]amino}succinate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 2-{[4-(benzyloxy)-2-{[(benzyloxy)carbonyl]amino}-4-oxobutanoyl]amino}succinate [ACD/IUPAC Name]
Diethyl-2-{[4-(benzyloxy)-2-{[(benzyloxy)carbonyl]amino}-4-oxobutanoyl]amino}succinat [German] [ACD/IUPAC Name]

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

NSC120017 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 710.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 383.3±32.9 °C
Index of Refraction: 1.544
Molar Refractivity: 134.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1054.93
ACD/KOC (pH 5.5): 5077.16
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1053.28
ACD/KOC (pH 7.4): 5069.21
Polar Surface Area: 146 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 427.0±3.0 cm3

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