ChemSpider 2D Image | N-Methyl-L-isoleucyl-L-isoleucyl-N-acetyl-N-{(2S)-4-methyl-1-[(2R)-2-methyl-2-oxiranyl]-1-oxo-2-pentanyl}-L-threoninamide | C28H50N4O7

N-Methyl-L-isoleucyl-L-isoleucyl-N-acetyl-N-{(2S)-4-methyl-1-[(2R)-2-methyl-2-oxiranyl]-1-oxo-2-pentanyl}-L-threoninamide

  • Molecular FormulaC28H50N4O7
  • Average mass554.719 Da
  • Monoisotopic mass554.367920 Da
  • ChemSpider ID54868714

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

L-Threoninamide, N-methyl-L-isoleucyl-L-isoleucyl-N-acetyl-N-[(1S)-3-methyl-1-[[(2R)-2-methyloxiranyl]carbonyl]butyl]- [ACD/Index Name]
N-Methyl-L-isoleucyl-L-isoleucyl-N-acetyl-N-{(2S)-4-methyl-1-[(2R)-2-methyl-2-oxiranyl]-1-oxo-2-pentanyl}-L-threoninamid [German] [ACD/IUPAC Name]
N-Methyl-L-isoleucyl-L-isoleucyl-N-acetyl-N-{(2S)-4-methyl-1-[(2R)-2-methyl-2-oxiranyl]-1-oxo-2-pentanyl}-L-threoninamide [ACD/IUPAC Name]
N-Méthyl-L-isoleucyl-L-isoleucyl-N-acétyl-N-{(2S)-4-méthyl-1-[(2R)-2-méthyl-2-oxiranyl]-1-oxo-2-pentanyl}-L-thréoninamide [French] [ACD/IUPAC Name]
134381-21-8 [RN]
Epoxomicin

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

Density: 1.1±0.1 g/cm3
Boiling Point: 743.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.7±6.0 kJ/mol
Flash Point: 403.3±32.9 °C
Index of Refraction: 1.504
Molar Refractivity: 147.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 3.64
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.66
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 6.95
ACD/KOC (pH 7.4): 84.06
Polar Surface Area: 157 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 496.3±3.0 cm3

Click to predict properties on the Chemicalize site


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