ChemSpider 2D Image | (1R,3S)-3-(2-Acetamido-2-propanyl)-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenyl-2-hexanyl]cyclohexanecarboxamide | C29H47N3O4

(1R,3S)-3-(2-Acetamido-2-propanyl)-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenyl-2-hexanyl]cyclohexanecarboxamide

  • Molecular FormulaC29H47N3O4
  • Average mass501.701 Da
  • Monoisotopic mass501.356659 Da
  • ChemSpider ID24678858

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,3S)-3-(2-Acetamido-2-propanyl)-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenyl-2-hexanyl]cyclohexancarboxamid [German] [ACD/IUPAC Name]
(1R,3S)-3-(2-Acetamido-2-propanyl)-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenyl-2-hexanyl]cyclohexanecarboxamide [ACD/IUPAC Name]
(1R,3S)-3-(2-Acétamido-2-propanyl)-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-méthyl-6-oxo-1-phényl-2-hexanyl]cyclohexanecarboxamide [French] [ACD/IUPAC Name]
(1r,3s)-3-[1-(Acetylamino)-1-Methylethyl]-N-[(1s,2s,4r)-1-Benzyl-5-(Butylamino)-2-Hydroxy-4-Methyl-5-Oxopentyl]cyclohexanecarboxamide
Benzenehexanamide, δ-[[[(1R,3S)-3-[1-(acetylamino)-1-methylethyl]cyclohexyl]carbonyl]amino]-N-butyl-γ-hydroxy-α-methyl-, (αR,γS,δS)- [ACD/Index Name]
AYH

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

Density: 1.1±0.1 g/cm3
Boiling Point: 777.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.7±3.0 kJ/mol
Flash Point: 423.9±32.9 °C
Index of Refraction: 1.525
Molar Refractivity: 142.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 320.13
ACD/KOC (pH 5.5): 2162.33
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 320.14
ACD/KOC (pH 7.4): 2162.33
Polar Surface Area: 108 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 465.5±3.0 cm3

Click to predict properties on the Chemicalize site


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