ChemSpider 2D Image | N-{[(2S,3S)-3-(Ethoxycarbonyl)-2-oxiranyl]carbonyl}-L-isoleucyl-L-alanine | C15H24N2O7

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

  • Molecular FormulaC15H24N2O7
  • Average mass344.360 Da
  • Monoisotopic mass344.158356 Da
  • ChemSpider ID25056578
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

L-Alanine, N-[[(2S,3S)-3-(ethoxycarbonyl)oxiranyl]carbonyl]-L-isoleucyl- [ACD/Index Name]
N-{[(2S,3S)-3-(Ethoxycarbonyl)-2-oxiranyl]carbonyl}-L-isoleucyl-L-alanin [German] [ACD/IUPAC Name]
N-{[(2S,3S)-3-(Ethoxycarbonyl)-2-oxiranyl]carbonyl}-L-isoleucyl-L-alanine [ACD/IUPAC Name]
N-{[(2S,3S)-3-(Éthoxycarbonyl)-2-oxiranyl]carbonyl}-L-isoleucyl-L-alanine [French] [ACD/IUPAC Name]
N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE
(2S)-2-[(2S,3S)-2-{[(2S,3S)-3-(ethoxycarbonyl)oxiran-2-yl]formamido}-3-methylpentanamido]propanoic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 616.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 99.8±6.0 kJ/mol
Flash Point: 326.5±31.5 °C
Index of Refraction: 1.509
Molar Refractivity: 81.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 0.70
ACD/LogD (pH 5.5): -2.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 272.2±3.0 cm3

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