ChemSpider 2D Image | Methyl O-(2-methyl-2-propanyl)-N-{1-[O-(2-methyl-2-propanyl)-N-(5-oxo-1,2,5,6-tetrahydro-3-pyridinyl)-L-threonyl]-5-oxo-1,2,5,6-tetrahydro-3-pyridinyl}-L-threoninate | C27H44N4O7

Methyl O-(2-methyl-2-propanyl)-N-{1-[O-(2-methyl-2-propanyl)-N-(5-oxo-1,2,5,6-tetrahydro-3-pyridinyl)-L-threonyl]-5-oxo-1,2,5,6-tetrahydro-3-pyridinyl}-L-threoninate

  • Molecular FormulaC27H44N4O7
  • Average mass536.661 Da
  • Monoisotopic mass536.320984 Da
  • ChemSpider ID9505054

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Threonine, N-[1-[(2S,3R)-3-(1,1-dimethylethoxy)-1-oxo-2-[(1,2,5,6-tetrahydro-5-oxo-3-pyridinyl)amino]butyl]-1,2,5,6-tetrahydro-5-oxo-3-pyridinyl]-O-(1,1-dimethylethyl)-, methyl ester [ACD/Index Name]
Methyl O-(2-methyl-2-propanyl)-N-{1-[O-(2-methyl-2-propanyl)-N-(5-oxo-1,2,5,6-tetrahydro-3-pyridinyl)-L-threonyl]-5-oxo-1,2,5,6-tetrahydro-3-pyridinyl}-L-threoninate [ACD/IUPAC Name]
Methyl-O-(2-methyl-2-propanyl)-N-{1-[O-(2-methyl-2-propanyl)-N-(5-oxo-1,2,5,6-tetrahydro-3-pyridinyl)-L-threonyl]-5-oxo-1,2,5,6-tetrahydro-3-pyridinyl}-L-threoninat [German] [ACD/IUPAC Name]
O-(2-Méthyl-2-propanyl)-N-{1-[O-(2-méthyl-2-propanyl)-N-(5-oxo-1,2,5,6-tétrahydro-3-pyridinyl)-L-thréonyl]-5-oxo-1,2,5,6-tétrahydro-3-pyridinyl}-L-thréoninate de 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: 716.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 387.0±32.9 °C
Index of Refraction: 1.538
Molar Refractivity: 142.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 152.78
ACD/KOC (pH 5.5): 1117.84
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 239.89
ACD/KOC (pH 7.4): 1755.17
Polar Surface Area: 135 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 47.2±5.0 dyne/cm
Molar Volume: 456.9±5.0 cm3

Click to predict properties on the Chemicalize site


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