ChemSpider 2D Image | 3-({(4S,5S,7S)-5-Amino-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methylnonanoyl}amino)-2,2-dimethylpropanimidic acid | C30H53N3O6

3-({(4S,5S,7S)-5-Amino-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methylnonanoyl}amino)-2,2-dimethylpropanimidic acid

  • Molecular FormulaC30H53N3O6
  • Average mass551.758 Da
  • Monoisotopic mass551.393433 Da
  • ChemSpider ID68025060

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

3-({(4S,5S,7S)-5-Amino-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methylnonanoyl}amino)-2,2-dimethylpropanimidic acid [ACD/IUPAC Name]
3-({(4S,5S,7S)-5-Amino-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methylnonanoyl}amino)-2,2-dimethylpropanimidsäure [German] [ACD/IUPAC Name]
Acide 3-({(4S,5S,7S)-5-amino-4-hydroxy-2-isopropyl-7-[4-méthoxy-3-(3-méthoxypropoxy)benzyl]-8-méthylnonanoyl}amino)-2,2-diméthylpropanimidique [French] [ACD/IUPAC Name]
Propanimidic acid, 3-[[(4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-(1-methylethyl)-1-oxononyl]amino]-2,2-dimethyl- [ACD/Index Name]
Aliskiren [INN] [USAN] [Wiki]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.523
Molar Refractivity: 150.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 3.01
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 147 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 37.3±7.0 dyne/cm
Molar Volume: 494.3±7.0 cm3

Click to predict properties on the Chemicalize site


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