ChemSpider 2D Image | 3-[(5Z)-5-{[3-(2-Carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methylene}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]propanoic acid | C20H22N2O9

3-[(5Z)-5-{[3-(2-Carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methylene}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]propanoic acid

  • Molecular FormulaC20H22N2O9
  • Average mass434.397 Da
  • Monoisotopic mass434.132538 Da
  • ChemSpider ID35033559

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrrole-3-propanoic acid, 2-[(Z)-[4-(2-carboxyethyl)-3-(carboxymethyl)-1,5-dihydro-5-oxo-2H-pyrrol-2-ylidene]methyl]-4-(carboxymethyl)-5-methyl- [ACD/Index Name]
3-[(5Z)-5-{[3-(2-Carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methylen}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]propansäure [German] [ACD/IUPAC Name]
3-[(5Z)-5-{[3-(2-Carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methylene}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]propanoic acid [ACD/IUPAC Name]
3-[(5z)-5-{[3-(2-Carboxyethyl)-4-(Carboxymethyl)-5-Methyl-1h-Pyrrol-2-Yl]methylidene}-4-(Carboxymethyl)-2-Oxo-2,5-Dihydro-1h-Pyrrol-3-Yl]propanoic Acid
Acide 3-[(5Z)-5-{[3-(2-carboxyéthyl)-4-(carboxyméthyl)-5-méthyl-1H-pyrrol-2-yl]méthylène}-4-(carboxyméthyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]propanoïque [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 863.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.4±3.0 kJ/mol
Flash Point: 475.9±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 104.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: -1.29
ACD/LogD (pH 5.5): -4.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 194 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 81.7±3.0 dyne/cm
Molar Volume: 285.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement