ChemSpider 2D Image | Dimethyl 3,3'-{methylenebis[5-formyl-3-(2-methoxy-2-oxoethyl)-1H-pyrrole-2,4-diyl]}dipropanoate | C25H30N2O10

Dimethyl 3,3'-{methylenebis[5-formyl-3-(2-methoxy-2-oxoethyl)-1H-pyrrole-2,4-diyl]}dipropanoate

  • Molecular FormulaC25H30N2O10
  • Average mass518.513 Da
  • Monoisotopic mass518.190063 Da
  • ChemSpider ID551730

More details:

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

1H-Pyrrole-3-propanoic acid, 5,5'-methylenebis[2-formyl-4-(2-methoxy-2-oxoethyl)-, dimethyl ester [ACD/Index Name]
3,3'-{Méthylènebis[5-formyl-3-(2-méthoxy-2-oxoéthyl)-1H-pyrrole-2,4-diyl]}dipropanoate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 3,3'-{methylenebis[5-formyl-3-(2-methoxy-2-oxoethyl)-1H-pyrrole-2,4-diyl]}dipropanoate [ACD/IUPAC Name]
Dimethyl-3,3'-{methylenbis[5-formyl-3-(2-methoxy-2-oxoethyl)-1H-pyrrol-2,4-diyl]}dipropanoat [German] [ACD/IUPAC Name]
Methyl 3-[2-formyl-5-([5-formyl-3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl)-4-(2-methoxy-2-oxoethyl)-1H-pyrrol-3-yl]propanoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 630.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 335.2±31.5 °C
Index of Refraction: 1.581
Molar Refractivity: 131.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 0.74
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.69
ACD/KOC (pH 5.5): 176.85
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 9.69
ACD/KOC (pH 7.4): 176.86
Polar Surface Area: 171 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 393.0±3.0 cm3

Click to predict properties on the Chemicalize site


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