ChemSpider 2D Image | N-[2-Amino-6-(butylamino)-3-hydroxy-5-methyl-6-oxohexyl]-4-ethynyl-N-isopropyl-3-(3-methoxypropoxy)benzamide | C27H43N3O5

N-[2-Amino-6-(butylamino)-3-hydroxy-5-methyl-6-oxohexyl]-4-ethynyl-N-isopropyl-3-(3-methoxypropoxy)benzamide

  • Molecular FormulaC27H43N3O5
  • Average mass489.647 Da
  • Monoisotopic mass489.320282 Da
  • ChemSpider ID24627406

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

N-[2-Amino-6-(butylamino)-3-hydroxy-5-methyl-6-oxohexyl]-4-ethinyl-N-isopropyl-3-(3-methoxypropoxy)benzamid [German] [ACD/IUPAC Name]
N-[2-Amino-6-(butylamino)-3-hydroxy-5-methyl-6-oxohexyl]-4-ethynyl-N-isopropyl-3-(3-methoxypropoxy)benzamide [ACD/IUPAC Name]
N-[2-Amino-6-(butylamino)-3-hydroxy-5-méthyl-6-oxohexyl]-4-éthynyl-N-isopropyl-3-(3-méthoxypropoxy)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: 696.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 375.2±31.5 °C
Index of Refraction: 1.541
Molar Refractivity: 138.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): -0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.00
Polar Surface Area: 114 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 439.4±5.0 cm3

Click to predict properties on the Chemicalize site


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