ChemSpider 2D Image | N-[(2S,4S,5S,7S)-4-Amino-7-(butylcarbamoyl)-5-hydroxy-2-isopropyl-8-methylnonyl]-2-[2-(2-methoxyethoxy)ethoxy]benzamide | C30H53N3O6

N-[(2S,4S,5S,7S)-4-Amino-7-(butylcarbamoyl)-5-hydroxy-2-isopropyl-8-methylnonyl]-2-[2-(2-methoxyethoxy)ethoxy]benzamide

  • Molecular FormulaC30H53N3O6
  • Average mass551.758 Da
  • Monoisotopic mass551.393433 Da
  • ChemSpider ID8635671

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Benzamide, N-[(2S,4S,5S,7S)-4-amino-7-[(butylamino)carbonyl]-5-hydroxy-8-methyl-2-(1-methylethyl)nonyl]-2-[2-(2-methoxyethoxy)ethoxy]- [ACD/Index Name]
N-[(2S,4S,5S,7S)-4-Amino-7-(butylcarbamoyl)-5-hydroxy-2-isopropyl-8-methylnonyl]-2-[2-(2-methoxyethoxy)ethoxy]benzamid [German] [ACD/IUPAC Name]
N-[(2S,4S,5S,7S)-4-Amino-7-(butylcarbamoyl)-5-hydroxy-2-isopropyl-8-methylnonyl]-2-[2-(2-methoxyethoxy)ethoxy]benzamide [ACD/IUPAC Name]
N-[(2S,4S,5S,7S)-4-Amino-7-(butylcarbamoyl)-5-hydroxy-2-isopropyl-8-méthylnonyl]-2-[2-(2-méthoxyéthoxy)éthoxy]benzamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 742.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.6±3.0 kJ/mol
Flash Point: 402.8±32.9 °C
Index of Refraction: 1.508
Molar Refractivity: 155.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 2.30
ACD/LogD (pH 5.5): -0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.66
Polar Surface Area: 132 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 522.5±3.0 cm3

Click to predict properties on the Chemicalize site


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