ChemSpider 2D Image | 4-(4-Nitrophenyl)-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]butanoic acid | C24H35N5O10

4-(4-Nitrophenyl)-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]butanoic acid

  • Molecular FormulaC24H35N5O10
  • Average mass553.562 Da
  • Monoisotopic mass553.238403 Da
  • ChemSpider ID8026321

More details:

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

1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, α1-[2-(4-nitrophenyl)ethyl]- [ACD/Index Name]
4-(4-Nitrophenyl)-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]butanoic acid [ACD/IUPAC Name]
4-(4-Nitrophenyl)-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]butansäure [German] [ACD/IUPAC Name]
Acide 4-(4-nitrophényl)-2-[4,7,10-tris(carboxyméthyl)-1,4,7,10-tétraazacyclododécan-1-yl]butanoïque [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 834.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.2±3.0 kJ/mol
Flash Point: 458.7±34.3 °C
Index of Refraction: 1.573
Molar Refractivity: 134.9±0.3 cm3
#H bond acceptors: 15
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 0.99
ACD/LogD (pH 5.5): -3.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 208 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 61.0±3.0 dyne/cm
Molar Volume: 409.5±3.0 cm3

Click to predict properties on the Chemicalize site


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