ChemSpider 2D Image | N-{[(2S,3S)-3-(Ethoxycarbonyl)-2-oxiranyl]carbonyl}-L-threonyl-L-isoleucine | C16H26N2O8

N-{[(2S,3S)-3-(Ethoxycarbonyl)-2-oxiranyl]carbonyl}-L-threonyl-L-isoleucine

  • Molecular FormulaC16H26N2O8
  • Average mass374.386 Da
  • Monoisotopic mass374.168915 Da
  • ChemSpider ID25060338
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

L-Isoleucine, N-[[(2S,3S)-3-(ethoxycarbonyl)oxiranyl]carbonyl]-L-threonyl- [ACD/Index Name]
N-{[(2S,3S)-3-(Ethoxycarbonyl)-2-oxiranyl]carbonyl}-L-threonyl-L-isoleucin [German] [ACD/IUPAC Name]
N-{[(2S,3S)-3-(Ethoxycarbonyl)-2-oxiranyl]carbonyl}-L-threonyl-L-isoleucine [ACD/IUPAC Name]
N-{[(2S,3S)-3-(Éthoxycarbonyl)-2-oxiranyl]carbonyl}-L-thréonyl-L-isoleucine [French] [ACD/IUPAC Name]
N-{[(2s,3s)-3-(Ethoxycarbonyl)oxiran-2-Yl]carbonyl}-L-Threonyl-L-Isoleucine
N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 672.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.1±6.0 kJ/mol
Flash Point: 360.8±31.5 °C
Index of Refraction: 1.522
Molar Refractivity: 87.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 0.47
ACD/LogD (pH 5.5): -2.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 155 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 286.6±3.0 cm3

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