ChemSpider 2D Image | 3-[5-{[3-(2-Carboxylatoethyl)-4-(carboxylatomethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxylatomethyl)-1H-pyrrol-3-yl]propanoate | C20H20N2O8

3-[5-{[3-(2-Carboxylatoethyl)-4-(carboxylatomethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxylatomethyl)-1H-pyrrol-3-yl]propanoate

  • Molecular FormulaC20H20N2O8
  • Average mass416.384 Da
  • Monoisotopic mass416.124146 Da
  • ChemSpider ID26331885

  • Charge - Charge

More details:

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

1H-Pyrrole-3-propanoic acid, 2-[[4-(2-carboxyethyl)-3-(carboxymethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxymethyl)-5-methyl-, ion(4-) [ACD/Index Name]
3-[5-{[3-(2-Carboxylatoethyl)-4-(carboxylatomethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxylatomethyl)-1H-pyrrol-3-yl]propanoat [German] [ACD/IUPAC Name]
3-[5-{[3-(2-Carboxylatoethyl)-4-(carboxylatomethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxylatomethyl)-1H-pyrrol-3-yl]propanoate [ACD/IUPAC Name]
3-[5-{[3-(2-Carboxylatoéthyl)-4-(carboxylatométhyl)-5-méthyl-1H-pyrrol-2-yl]méthyl}-4-(carboxylatométhyl)-1H-pyrrol-3-yl]propanoate [French] [ACD/IUPAC Name]
3,8-bis(carboxylatomethyl)-9-methyl-5,10-dihydrodipyrrin-2,7-dipropionate
3,8-bis(carboxylatomethyl)-9-methyl-5,10-dihydrodipyrrin-2,7-dipropionate; 3,8-bis(carboxylatomethyl)-9-methyldipyrromethane-2,7-dipropionate
3,8-bis(carboxylatomethyl)-9-methyldipyrromethane-2,7-dipropionate
dipyrromethane
DIPYRROMETHANE COFACTOR
dipyrromethane cofactor tetraanion
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 718.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 388.5±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: -0.40
ACD/LogD (pH 5.5): -3.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 192 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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