ChemSpider 2D Image | 2,2',2'',2'''-(1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrayl)tetra(~2~H_2_)acetic acid | C16H20D8N4O8

2,2',2'',2'''-(1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrayl)tetra(2H2)acetic acid

  • Molecular FormulaC16H20D8N4O8
  • Average mass412.465 Da
  • Monoisotopic mass412.240936 Da
  • ChemSpider ID8725006

  • Non-standard isotope - Non-standard isotope

More details:

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

1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic-α1,α1,α4,α4,α7,α7,α10,α10-d8 acid [ACD/Index Name]
2,2',2'',2'''-(1,4,7,10-Tetraazacyclododecan-1,4,7,10-tetrayl)tetra(2H2)essigsäure [German] [ACD/IUPAC Name]
2,2',2'',2'''-(1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrayl)tetra(2H2)acetic acid [ACD/IUPAC Name]
Acide 2,2',2'',2'''-(1,4,7,10-tétraazacyclododécane-1,4,7,10-tétrayl)tetra(2H2)acétique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
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: 1.532
Molar Refractivity: 94.7±0.3 cm3
#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: 162 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 305.9±3.0 cm3

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