ChemSpider 2D Image | 3-[2-[[4-(2-carboxyethyl)-5-[[4-(2-carboxyethyl)-3-(carboxymethyl)-1H-pyrrol-2-yl]-tritio-methyl]-3-(carboxymethyl)-1H-pyrrol-2-yl]-tritio-methyl]-5-[[3-(2-carboxyethyl)-4-(carboxymethyl)-5-[(R)-hydroxy-tritio-methyl]-1H-pyrrol-2-yl]-tritio-methyl]-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid | C40H42T4N4O17

3-[2-[[4-(2-carboxyethyl)-5-[[4-(2-carboxyethyl)-3-(carboxymethyl)-1H-pyrrol-2-yl]-tritio-methyl]-3-(carboxymethyl)-1H-pyrrol-2-yl]-tritio-methyl]-5-[[3-(2-carboxyethyl)-4-(carboxymethyl)-5-[(R)-hydroxy-tritio-methyl]-1H-pyrrol-2-yl]-tritio-methyl]-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid

  • Molecular FormulaC40H42T4N4O17
  • Average mass862.842 Da
  • Monoisotopic mass862.318665 Da
  • ChemSpider ID8828553

  • Non-standard isotope - Non-standard isotope

More details:

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

Density:
Boiling Point: 1135.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 175.3±3.0 kJ/mol
Flash Point: 640.6±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 21
#H bond donors: 13
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 3
ACD/LogP: -2.91
ACD/LogD (pH 5.5): -8.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 382 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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