ChemSpider 2D Image | 5,11,19,25,30,36-Hexaoxa-8,22,33-triazatetracyclo[13.13.9.1~3,27~.1~13,17~]nonatriaconta-1,3(38),13(39),14,16,27-hexaene | C30H45N3O6

5,11,19,25,30,36-Hexaoxa-8,22,33-triazatetracyclo[13.13.9.13,27.113,17]nonatriaconta-1,3(38),13(39),14,16,27-hexaene

  • Molecular FormulaC30H45N3O6
  • Average mass543.695 Da
  • Monoisotopic mass543.330811 Da
  • ChemSpider ID8896578

More details:

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

5,11,19,25,30,36-Hexaoxa-8,22,33-triazatetracyclo[13.13.9.13,27.113,17]nonatriaconta-1,3(38),13(39),14,16,27-hexaen [German] [ACD/IUPAC Name]
5,11,19,25,30,36-Hexaoxa-8,22,33-triazatetracyclo[13.13.9.13,27.113,17]nonatriaconta-1,3(38),13(39),14,16,27-hexaene [ACD/IUPAC Name]
5,11,19,25,30,36-Hexaoxa-8,22,33-triazatétracyclo[13.13.9.13,27.113,17]nonatriaconta-1,3(38),13(39),14,16,27-hexaène [French] [ACD/IUPAC Name]
5,11,19,25,30,36-Hexaoxa-8,22,33-triazatetracyclo[13.13.9.13,27.113,17]nonatriaconta-1,3(38),13,15,17(39),27-hexaene [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 753.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 317.4±21.0 °C
Index of Refraction: 1.490
Molar Refractivity: 150.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 2.29
ACD/LogD (pH 5.5): -1.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 91 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 519.8±3.0 cm3

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