ChemSpider 2D Image | {1-[3-(Diethylammonio)propyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)-3-pyrrolidinylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate | C29H39N3O8

{1-[3-(Diethylammonio)propyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)-3-pyrrolidinylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate

  • Molecular FormulaC29H39N3O8
  • Average mass557.635 Da
  • Monoisotopic mass557.273743 Da
  • ChemSpider ID2674647

More details:

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

{1-[3-(Diethylammonio)propyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)-3-pyrrolidinyliden}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolat [German] [ACD/IUPAC Name]
{1-[3-(Diethylammonio)propyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)-3-pyrrolidinylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate [ACD/IUPAC Name]
{1-[3-(Diéthylammonio)propyl]-4,5-dioxo-2-(3,4,5-triméthoxyphényl)-3-pyrrolidinylidène}[5-(méthoxycarbonyl)-2,4-diméthyl-1H-pyrrol-3-yl]méthanolate [French] [ACD/IUPAC Name]
1-Pyrrolidinepropanaminium, N,N-diethyl-3-[hydroxy[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methylene]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)-, inner salt [ACD/Index Name]

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

Density:
Boiling Point: 696.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 375.0±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.02
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.50
Polar Surface Area: 135 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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