ChemSpider 2D Image | 2,2'-[6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,14-diylbis(carbonylimino)]diacetic acid | C26H30N2O12

2,2'-[6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,14-diylbis(carbonylimino)]diacetic acid

  • Molecular FormulaC26H30N2O12
  • Average mass562.523 Da
  • Monoisotopic mass562.179871 Da
  • ChemSpider ID8873487

More details:

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

2,2'-[6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2,14-diylbis(carbonylimino)]diessigsäure [German] [ACD/IUPAC Name]
2,2'-[6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,14-diylbis(carbonylimino)]diacetic acid [ACD/IUPAC Name]
Acide 2,2'-[6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadécine-2,14-diylbis(carbonylimino)]diacétique [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: 822.4±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: 451.2±34.3 °C
Index of Refraction: 1.545
Molar Refractivity: 135.4±0.3 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.04
ACD/LogD (pH 5.5): -5.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 188 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 428.1±3.0 cm3

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