ChemSpider 2D Image | (2R,2'R,2''R,2'''R)-1,1',1'',1'''-(1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrayl)tetra(2-propanol) | C20H44N4O4

(2R,2'R,2''R,2'''R)-1,1',1'',1'''-(1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrayl)tetra(2-propanol)

  • Molecular FormulaC20H44N4O4
  • Average mass404.588 Da
  • Monoisotopic mass404.336243 Da
  • ChemSpider ID129308963

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,2'R,2''R,2'''R)-1,1',1'',1'''-(1,4,7,10-Tetraazacyclododecan-1,4,7,10-tetrayl)tetra(2-propanol) [German] [ACD/IUPAC Name]
(2R,2'R,2''R,2'''R)-1,1',1'',1'''-(1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrayl)tetra(2-propanol) [ACD/IUPAC Name]
(2R,2'R,2''R,2'''R)-1,1',1'',1'''-(1,4,7,10-Tétraazacyclododécane-1,4,7,10-tétrayl)tetra(2-propanol) [French] [ACD/IUPAC Name]
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraethanol, α,α',α'',α'''-tetramethyl-, (α1R,α4R,α7R,α10R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 562.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.1±6.0 kJ/mol
Flash Point: 273.6±27.4 °C
Index of Refraction: 1.499
Molar Refractivity: 113.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -0.90
ACD/LogD (pH 5.5): -4.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.32
Polar Surface Area: 94 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 385.0±3.0 cm3

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