ChemSpider 2D Image | 2,2'-{4,10-Bis[(1-oxido-2-pyridinyl)methyl]-1,4,7,10-tetraazacyclododecane-1,7-diyl}diacetic acid | C24H34N6O6

2,2'-{4,10-Bis[(1-oxido-2-pyridinyl)methyl]-1,4,7,10-tetraazacyclododecane-1,7-diyl}diacetic acid

  • Molecular FormulaC24H34N6O6
  • Average mass502.563 Da
  • Monoisotopic mass502.253998 Da
  • ChemSpider ID29788782

More details:

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

1,4,7,10-Tetraazacyclododecane-1,7-diacetic acid, 4,10-bis[(1-oxido-2-pyridinyl)methyl]- [ACD/Index Name]
2,2'-{4,10-Bis[(1-oxido-2-pyridinyl)methyl]-1,4,7,10-tetraazacyclododecan-1,7-diyl}diessigsäure [German] [ACD/IUPAC Name]
2,2'-{4,10-Bis[(1-oxido-2-pyridinyl)methyl]-1,4,7,10-tetraazacyclododecane-1,7-diyl}diacetic acid [ACD/IUPAC Name]
Acide 2,2'-{4,10-bis[(1-oxydo-2-pyridinyl)méthyl]-1,4,7,10-tétraazacyclododécane-1,7-diyl}diacétique [French] [ACD/IUPAC Name]
1187176-56-2 [RN]
2,2'-{4,10-Bis[(1-oxo-1λ5-pyridin-2-yl)methyl]-1,4,7,10-tetraazacyclododecane-1,7-diyl}diacetic acid
2-[7-(carboxymethyl)-4,10-bis[(1-oxidopyridin-1-ium-2-yl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
4,10-Bis[(1-oxido-2-pyridinyl)methyl]-1,4,7,10-tetraazacyclododecane-1,7-diacetic acid

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 822.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 125.3±3.0 kJ/mol
    Flash Point: 451.0±34.3 °C
    Index of Refraction: 1.622
    Molar Refractivity: 134.4±0.5 cm3
    #H bond acceptors: 12
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: -5.04
    ACD/LogD (pH 5.5): -5.07
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -5.18
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 138 Å2
    Polarizability: 53.3±0.5 10-24cm3
    Surface Tension: 58.7±7.0 dyne/cm
    Molar Volume: 381.3±7.0 cm3

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