Found 1 result

Search term: HBTLHUNAYHJKLO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2S,4S,5S,7S)-5-Amino-N-[3-(dimethylamino)-3-oxopropyl]-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methylnonanamide | C30H53N3O6

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

  • Molecular FormulaC30H53N3O6
  • Average mass551.758 Da
  • Monoisotopic mass551.393433 Da
  • ChemSpider ID25039385

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,4S,5S,7S)-5-Amino-N-[3-(dimethylamino)-3-oxopropyl]-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methylnonanamid [German] [ACD/IUPAC Name]
(2S,4S,5S,7S)-5-Amino-N-[3-(dimethylamino)-3-oxopropyl]-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methylnonanamide [ACD/IUPAC Name]
(2S,4S,5S,7S)-5-Amino-N-[3-(diméthylamino)-3-oxopropyl]-4-hydroxy-2-isopropyl-7-[4-méthoxy-3-(3-méthoxypropoxy)benzyl]-8-méthylnonanamide [French] [ACD/IUPAC Name]
Benzeneoctanamide, δ-amino-N-[3-(dimethylamino)-3-oxopropyl]-γ-hydroxy-4-methoxy-3-(3-methoxypropoxy)-α,ζ-bis(1-methylethyl)-, (αS,γS,δS,ζS)- [ACD/Index Name]
2,7-dialkyl-substituted 8-phenyl-octanecarboxamide, 39

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

Density: 1.1±0.1 g/cm3
Boiling Point: 718.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.2±3.0 kJ/mol
Flash Point: 388.3±32.9 °C
Index of Refraction: 1.510
Molar Refractivity: 155.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 1
ACD/LogP: 2.48
ACD/LogD (pH 5.5): -0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.75
Polar Surface Area: 123 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 520.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement