ChemSpider 2D Image | (2R,4S,5S,7S)-5-Amino-4-hydroxy-N-[2-(4-hydroxy-1-piperidinyl)ethyl]-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2,8-dimethylnonanamide | C30H53N3O6

(2R,4S,5S,7S)-5-Amino-4-hydroxy-N-[2-(4-hydroxy-1-piperidinyl)ethyl]-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2,8-dimethylnonanamide

  • Molecular FormulaC30H53N3O6
  • Average mass551.758 Da
  • Monoisotopic mass551.393433 Da
  • ChemSpider ID25037843

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,4S,5S,7S)-5-Amino-4-hydroxy-N-[2-(4-hydroxy-1-piperidinyl)ethyl]-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2,8-dimethylnonanamid [German] [ACD/IUPAC Name]
(2R,4S,5S,7S)-5-Amino-4-hydroxy-N-[2-(4-hydroxy-1-piperidinyl)ethyl]-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2,8-dimethylnonanamide [ACD/IUPAC Name]
(2R,4S,5S,7S)-5-Amino-4-hydroxy-N-[2-(4-hydroxy-1-pipéridinyl)éthyl]-7-[4-méthoxy-3-(3-méthoxypropoxy)benzyl]-2,8-diméthylnonanamide [French] [ACD/IUPAC Name]
Benzeneoctanamide, δ-amino-γ-hydroxy-N-[2-(4-hydroxy-1-piperidinyl)ethyl]-4-methoxy-3-(3-methoxypropoxy)-α-methyl-ζ-(1-methylethyl)-, (αR,γS,δS,ζS)- [ACD/Index Name]
8-phenyl-octanecarboxamide peptidomimetic, 56

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

Density: 1.1±0.1 g/cm3
Boiling Point: 726.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 393.1±32.9 °C
Index of Refraction: 1.528
Molar Refractivity: 155.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 1.58
ACD/LogD (pH 5.5): -2.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 503.7±3.0 cm3

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