Found 4 results

Search term: MF = 'C_{33}H_{42}N_{2}O_{11}'
ChemSpider 2D Image | Bis{[(2,2-dimethylpropanoyl)oxy]methyl} N-(4-{[(benzyloxy)carbonyl](methyl)amino}benzoyl)-L-glutamate | C33H42N2O11

Bis{[(2,2-dimethylpropanoyl)oxy]methyl} N-(4-{[(benzyloxy)carbonyl](methyl)amino}benzoyl)-L-glutamate

  • Molecular FormulaC33H42N2O11
  • Average mass642.693 Da
  • Monoisotopic mass642.278870 Da
  • ChemSpider ID9738414

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Bis{[(2,2-dimethylpropanoyl)oxy]methyl} N-(4-{[(benzyloxy)carbonyl](methyl)amino}benzoyl)-L-glutamate [ACD/IUPAC Name]
Bis{[(2,2-dimethylpropanoyl)oxy]methyl}-N-(4-{[(benzyloxy)carbonyl](methyl)amino}benzoyl)-L-glutamat [German] [ACD/IUPAC Name]
L-Glutamic acid, N-[4-[methyl[(phenylmethoxy)carbonyl]amino]benzoyl]-, bis[(2,2-dimethyl-1-oxopropoxy)methyl] ester [ACD/Index Name]
N-(4-{[(Benzyloxy)carbonyl](méthyl)amino}benzoyl)-L-glutamate de bis{[(2,2-diméthylpropanoyl)oxy]méthyle} [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 737.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 399.7±32.9 °C
Index of Refraction: 1.543
Molar Refractivity: 166.2±0.3 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1926.56
ACD/KOC (pH 5.5): 7813.48
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1926.55
ACD/KOC (pH 7.4): 7813.44
Polar Surface Area: 164 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 527.0±3.0 cm3

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