ChemSpider 2D Image | 2,19-Dinitro-6,7,9,10,12,13,15,16,23,24,26,27,29,30-tetradecahydrodibenzo[b,n][1,4,7,10,13,16,19,22,25]nonaoxacycloheptacosine | C26H34N2O13

2,19-Dinitro-6,7,9,10,12,13,15,16,23,24,26,27,29,30-tetradecahydrodibenzo[b,n][1,4,7,10,13,16,19,22,25]nonaoxacycloheptacosine

  • Molecular FormulaC26H34N2O13
  • Average mass582.554 Da
  • Monoisotopic mass582.206116 Da
  • ChemSpider ID4046255

More details:

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

2,19-Dinitro-6,7,9,10,12,13,15,16,23,24,26,27,29,30-tetradecahydrodibenzo[b,n][1,4,7,10,13,16,19,22,25]nonaoxacycloheptacosin [German] [ACD/IUPAC Name]
2,19-Dinitro-6,7,9,10,12,13,15,16,23,24,26,27,29,30-tetradecahydrodibenzo[b,n][1,4,7,10,13,16,19,22,25]nonaoxacycloheptacosine [ACD/IUPAC Name]
2,19-Dinitro-6,7,9,10,12,13,15,16,23,24,26,27,29,30-tétradécahydrodibenzo[b,n][1,4,7,10,13,16,19,22,25]nonaoxacycloheptacosine [French] [ACD/IUPAC Name]
Dibenzo[b,n][1,4,7,10,13,16,19,22,25]nonaoxacycloheptacosin, 6,7,9,10,12,13,15,16,23,24,26,27,29,30-tetradecahydro-2,19-dinitro- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 732.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 265.1±34.9 °C
Index of Refraction: 1.498
Molar Refractivity: 141.3±0.3 cm3
#H bond acceptors: 15
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 9.37
ACD/KOC (pH 5.5): 172.69
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 9.37
ACD/KOC (pH 7.4): 172.69
Polar Surface Area: 175 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 481.6±3.0 cm3

Click to predict properties on the Chemicalize site


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