ChemSpider 2D Image | 2,2',2''-[10-(Carboxymethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl]triacetate | C16H25N4O8

2,2',2''-[10-(Carboxymethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl]triacetate

  • Molecular FormulaC16H25N4O8
  • Average mass401.393 Da
  • Monoisotopic mass401.168884 Da
  • ChemSpider ID95693624

  • Charge - Charge

More details:

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

1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, ion(3-) [ACD/Index Name]
2,2',2''-[10-(Carboxymethyl)-1,4,7,10-tetraazacyclododecan-1,4,7-triyl]triacetat [German] [ACD/IUPAC Name]
2,2',2''-[10-(Carboxymethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl]triacetate [ACD/IUPAC Name]
2,2',2''-[10-(Carboxyméthyl)-1,4,7,10-tétraazacyclododécane-1,4,7-triyl]triacétate [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 701.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 111.9±6.0 kJ/mol
Flash Point: 378.1±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -1.31
ACD/LogD (pH 5.5): -5.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 171 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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