ChemSpider 2D Image | (5S)-1-[2-(Diethylamino)ethyl]-5-[3-ethoxy-4-(pentyloxy)phenyl]-3-hydroxy-4-(5-methyl-2-furoyl)-1,5-dihydro-2H-pyrrol-2-one | C29H40N2O6

(5S)-1-[2-(Diethylamino)ethyl]-5-[3-ethoxy-4-(pentyloxy)phenyl]-3-hydroxy-4-(5-methyl-2-furoyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC29H40N2O6
  • Average mass512.638 Da
  • Monoisotopic mass512.288635 Da
  • ChemSpider ID62646232

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S)-1-[2-(Diethylamino)ethyl]-5-[3-ethoxy-4-(pentyloxy)phenyl]-3-hydroxy-4-(5-methyl-2-furoyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
(5S)-1-[2-(Diethylamino)ethyl]-5-[3-ethoxy-4-(pentyloxy)phenyl]-3-hydroxy-4-(5-methyl-2-furoyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
(5S)-1-[2-(Diéthylamino)éthyl]-5-[3-éthoxy-4-(pentyloxy)phényl]-3-hydroxy-4-(5-méthyl-2-furoyl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
(5S)-1-[2-(Diethylammonio)ethyl]-5-[3-ethoxy-4-(pentyloxy)phenyl]-4-(5-methyl-2-furoyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-olat [German] [ACD/IUPAC Name]
(5S)-1-[2-(Diethylammonio)ethyl]-5-[3-ethoxy-4-(pentyloxy)phenyl]-4-(5-methyl-2-furoyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-olate [ACD/IUPAC Name]
(5S)-1-[2-(Diéthylammonio)éthyl]-5-[3-éthoxy-4-(pentyloxy)phényl]-4-(5-méthyl-2-furoyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-olate [French] [ACD/IUPAC Name]
1H-Pyrrole-1-ethanaminium, 2-[3-ethoxy-4-(pentyloxy)phenyl]-N,N-diethyl-2,5-dihydro-4-hydroxy-3-[(5-methyl-2-furanyl)carbonyl]-5-oxo-, inner salt, (2S)- [ACD/Index Name]
2H-Pyrrol-2-one, 1-[2-(diethylamino)ethyl]-5-[3-ethoxy-4-(pentyloxy)phenyl]-1,5-dihydro-3-hydroxy-4-[(5-methyl-2-furanyl)carbonyl]-, (5S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 650.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 347.2±31.5 °C
Index of Refraction: 1.555
Molar Refractivity: 142.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 5.74
ACD/KOC (pH 5.5): 23.22
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 6.13
ACD/KOC (pH 7.4): 24.81
Polar Surface Area: 92 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 444.2±3.0 cm3

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