ChemSpider 2D Image | (2R,4S,5S,7S)-5-Amino-N-butyl-4-hydroxy-7-{4-methoxy-3-[2-(2-methoxyethoxy)ethoxy]benzyl}-2,8-dimethylnonanamide | C28H50N2O6

(2R,4S,5S,7S)-5-Amino-N-butyl-4-hydroxy-7-{4-methoxy-3-[2-(2-methoxyethoxy)ethoxy]benzyl}-2,8-dimethylnonanamide

  • Molecular FormulaC28H50N2O6
  • Average mass510.706 Da
  • Monoisotopic mass510.366882 Da
  • ChemSpider ID8159425

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,4S,5S,7S)-5-Amino-N-butyl-4-hydroxy-7-{4-methoxy-3-[2-(2-methoxyethoxy)ethoxy]benzyl}-2,8-dimethylnonanamid [German] [ACD/IUPAC Name]
(2R,4S,5S,7S)-5-Amino-N-butyl-4-hydroxy-7-{4-methoxy-3-[2-(2-methoxyethoxy)ethoxy]benzyl}-2,8-dimethylnonanamide [ACD/IUPAC Name]
(2R,4S,5S,7S)-5-Amino-N-butyl-4-hydroxy-7-{4-méthoxy-3-[2-(2-méthoxyéthoxy)éthoxy]benzyl}-2,8-diméthylnonanamide [French] [ACD/IUPAC Name]
Benzeneoctanamide, δ-amino-N-butyl-γ-hydroxy-4-methoxy-3-[2-(2-methoxyethoxy)ethoxy]-α-methyl-ζ-(1-methylethyl)-, (αR,γS,δS,ζS)- [ACD/Index Name]
8-phenyl-octanecarboxamide peptidomimetic, 42

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

Density: 1.0±0.1 g/cm3
Boiling Point: 663.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 355.3±31.5 °C
Index of Refraction: 1.503
Molar Refractivity: 144.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 3.12
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.03
Polar Surface Area: 112 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 489.1±3.0 cm3

Click to predict properties on the Chemicalize site


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