ChemSpider 2D Image | N-Acetyl-N-methyl-D-alloisoleucyl-N-[(2R,3R)-3-hydroxy-2-({(2S)-4-methyl-1-[(2S)-2-methyl-2-oxiranyl]-1-oxo-2-pentanyl}amino)butanoyl]-D-alloisoleucinamide | C28H50N4O7

N-Acetyl-N-methyl-D-alloisoleucyl-N-[(2R,3R)-3-hydroxy-2-({(2S)-4-methyl-1-[(2S)-2-methyl-2-oxiranyl]-1-oxo-2-pentanyl}amino)butanoyl]-D-alloisoleucinamide

  • Molecular FormulaC28H50N4O7
  • Average mass554.719 Da
  • Monoisotopic mass554.367920 Da
  • ChemSpider ID29315027

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

D-Alloisoleucinamide, N-acetyl-N-methyl-D-alloisoleucyl-N-[(2R,3R)-3-hydroxy-2-[[(1S)-3-methyl-1-[[(2S)-2-methyloxiranyl]carbonyl]butyl]amino]-1-oxobutyl]- [ACD/Index Name]
N-Acetyl-N-methyl-D-alloisoleucyl-N-[(2R,3R)-3-hydroxy-2-({(2S)-4-methyl-1-[(2S)-2-methyl-2-oxiranyl]-1-oxo-2-pentanyl}amino)butanoyl]-D-alloisoleucinamid [German] [ACD/IUPAC Name]
N-Acetyl-N-methyl-D-alloisoleucyl-N-[(2R,3R)-3-hydroxy-2-({(2S)-4-methyl-1-[(2S)-2-methyl-2-oxiranyl]-1-oxo-2-pentanyl}amino)butanoyl]-D-alloisoleucinamide [ACD/IUPAC Name]
N-Acétyl-N-méthyl-D-alloisoleucyl-N-[(2R,3R)-3-hydroxy-2-({(2S)-4-méthyl-1-[(2S)-2-méthyl-2-oxiranyl]-1-oxo-2-pentanyl}amino)butanoyl]-D-alloisoleucinamide [French] [ACD/IUPAC Name]
134381-21-8 [RN]
Epoxomicin (BU-4061T)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 739.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 123.1±6.0 kJ/mol
Flash Point: 400.9±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: 2.81
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 15.19
ACD/KOC (pH 5.5): 243.86
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.16
ACD/KOC (pH 7.4): 243.44
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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