ChemSpider 2D Image | (5S)-1-[3-(Dimethylammonio)propyl]-4-{[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]carbonyl}-5-(3-methoxyphenyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-olate | C26H33N3O6

(5S)-1-[3-(Dimethylammonio)propyl]-4-{[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]carbonyl}-5-(3-methoxyphenyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-olate

  • Molecular FormulaC26H33N3O6
  • Average mass483.557 Da
  • Monoisotopic mass483.236938 Da
  • ChemSpider ID62695917

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S)-1-[3-(Dimethylammonio)propyl]-4-{[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]carbonyl}-5-(3-methoxyphenyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-olat [German] [ACD/IUPAC Name]
(5S)-1-[3-(Dimethylammonio)propyl]-4-{[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]carbonyl}-5-(3-methoxyphenyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-olate [ACD/IUPAC Name]
(5S)-1-[3-(Diméthylammonio)propyl]-4-{[5-(éthoxycarbonyl)-2,4-diméthyl-1H-pyrrol-3-yl]carbonyl}-5-(3-méthoxyphényl)-2-oxo-2,5-dihydro-1H-pyrrol-3-olate [French] [ACD/IUPAC Name]
1H-Pyrrole-1-propanaminium, 3-[[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]carbonyl]-2,5-dihydro-4-hydroxy-2-(3-methoxyphenyl)-N,N-dimethyl-5-oxo-, inner salt, (2S)- [ACD/Index Name]

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

Density:
Boiling Point: 701.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 377.8±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.78
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.96
Polar Surface Area: 116 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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