ChemSpider 2D Image | 2-{[(2R)-1-{[(2S)-1-Cyclohexyl-2,3-dihydroxypropyl]amino}-4-methyl-1-oxo-2-pentanyl]amino}-2-oxo-1-phenylethyl 4-morpholinecarboxylate | C28H43N3O7

2-{[(2R)-1-{[(2S)-1-Cyclohexyl-2,3-dihydroxypropyl]amino}-4-methyl-1-oxo-2-pentanyl]amino}-2-oxo-1-phenylethyl 4-morpholinecarboxylate

  • Molecular FormulaC28H43N3O7
  • Average mass533.657 Da
  • Monoisotopic mass533.310120 Da
  • ChemSpider ID8025727

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

2-{[(2R)-1-{[(2S)-1-Cyclohexyl-2,3-dihydroxypropyl]amino}-4-methyl-1-oxo-2-pentanyl]amino}-2-oxo-1-phenylethyl 4-morpholinecarboxylate [ACD/IUPAC Name]
2-{[(2R)-1-{[(2S)-1-Cyclohexyl-2,3-dihydroxypropyl]amino}-4-methyl-1-oxo-2-pentanyl]amino}-2-oxo-1-phenylethyl-4-morpholincarboxylat [German] [ACD/IUPAC Name]
4-Morpholinecarboxylate de 2-{[(2R)-1-{[(2S)-1-cyclohexyl-2,3-dihydroxypropyl]amino}-4-méthyl-1-oxo-2-pentanyl]amino}-2-oxo-1-phényléthyle [French] [ACD/IUPAC Name]
4-Morpholinecarboxylic acid, 2-[[(1R)-1-[[[(2S)-1-cyclohexyl-2,3-dihydroxypropyl]amino]carbonyl]-3-methylbutyl]amino]-2-oxo-1-phenylethyl ester [ACD/Index 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: 804.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.7±3.0 kJ/mol
Flash Point: 440.5±34.3 °C
Index of Refraction: 1.553
Molar Refractivity: 141.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 73.57
ACD/KOC (pH 5.5): 754.75
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 73.57
ACD/KOC (pH 7.4): 754.73
Polar Surface Area: 137 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 441.2±3.0 cm3

Click to predict properties on the Chemicalize site


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