ChemSpider 2D Image | (2S,4S,5S,7S)-5-Amino-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methyl-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]nonanamide | C30H53N3O6

(2S,4S,5S,7S)-5-Amino-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methyl-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]nonanamide

  • Molecular FormulaC30H53N3O6
  • Average mass551.758 Da
  • Monoisotopic mass551.393433 Da
  • ChemSpider ID25044545

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S,4S,5S,7S)-5-Amino-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methyl-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]nonanamid [German] [ACD/IUPAC Name]
(2S,4S,5S,7S)-5-Amino-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methyl-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]nonanamide [ACD/IUPAC Name]
(2S,4S,5S,7S)-5-Amino-4-hydroxy-2-isopropyl-7-[4-méthoxy-3-(3-méthoxypropoxy)benzyl]-8-méthyl-N-[(2S)-2-méthyl-3-(méthylamino)-3-oxopropyl]nonanamide [French] [ACD/IUPAC Name]
Benzeneoctanamide, δ-amino-γ-hydroxy-4-methoxy-3-(3-methoxypropoxy)-α,ζ-bis(1-methylethyl)-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]-, (αS,γS,δS,ζS)- [ACD/Index Name]
2,7-dialkyl-substituted 8-phenyl-octanecarboxamide, 44

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

Density: 1.1±0.1 g/cm3
Boiling Point: 747.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.3±3.0 kJ/mol
Flash Point: 405.7±32.9 °C
Index of Refraction: 1.507
Molar Refractivity: 155.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 2.52
ACD/LogD (pH 5.5): -0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.31
Polar Surface Area: 132 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 522.4±3.0 cm3

Click to predict properties on the Chemicalize site


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