ChemSpider 2D Image | 2,2',2'',2'''-[12-(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7,10-tetrayl]tetra(1,1-ethenediol) | C24H35N5O10

2,2',2'',2'''-[12-(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7,10-tetrayl]tetra(1,1-ethenediol)

  • Molecular FormulaC24H35N5O10
  • Average mass553.562 Da
  • Monoisotopic mass553.238403 Da
  • ChemSpider ID95576792

More details:

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

1,1-Ethenediol, 2,2',2'',2'''-[12-[(4-nitrophenyl)methyl]-1,4,7,10-tetraazacyclotridecane-1,4,7,10-tetrayl]tetrakis- [ACD/Index Name]
2,2',2'',2'''-[12-(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecan-1,4,7,10-tetrayl]tetra(1,1-ethendiol) [German] [ACD/IUPAC Name]
2,2',2'',2'''-[12-(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7,10-tetrayl]tetra(1,1-ethenediol) [ACD/IUPAC Name]
2,2',2'',2'''-[12-(4-Nitrobenzyl)-1,4,7,10-tétraazacyclotridécane-1,4,7,10-tétrayl]tetra(1,1-éthènediol) [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 815.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.3±3.0 kJ/mol
Flash Point: 447.2±34.3 °C
Index of Refraction: 1.811
Molar Refractivity: 147.6±0.3 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.95
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 30.01
Polar Surface Area: 221 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 118.4±3.0 dyne/cm
Molar Volume: 341.8±3.0 cm3

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