ChemSpider 2D Image | 2,5,20,23-Tetraoxa-11,14,29,32-tetraazapentacyclo[31.3.1.1~6,10~.1~15,19~.1~24,28~]tetraconta-1(37),6(40),7,9,15(39),16,18,24(38),25,27,33,35-dodecaene | C32H36N4O4

2,5,20,23-Tetraoxa-11,14,29,32-tetraazapentacyclo[31.3.1.16,10.115,19.124,28]tetraconta-1(37),6(40),7,9,15(39),16,18,24(38),25,27,33,35-dodecaene

  • Molecular FormulaC32H36N4O4
  • Average mass540.653 Da
  • Monoisotopic mass540.273682 Da
  • ChemSpider ID26000211

More details:

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

2,5,20,23-Tetraoxa-11,14,29,32-tetraazapentacyclo[31.3.1.16,10.115,19.124,28]tetraconta-1(37),6(40),7,9,15(39),16,18,24(38),25,27,33,35-dodecaen [German] [ACD/IUPAC Name]
2,5,20,23-Tetraoxa-11,14,29,32-tetraazapentacyclo[31.3.1.16,10.115,19.124,28]tetraconta-1(37),6(40),7,9,15(39),16,18,24(38),25,27,33,35-dodecaene [ACD/IUPAC Name]
2,5,20,23-Tétraoxa-11,14,29,32-tétraazapentacyclo[31.3.1.16,10.115,19.124,28]tétraconta-1(37),6(40),7,9,15(39),16,18,24(38),25,27,33,35-dodécaène [French] [ACD/IUPAC Name]
2,5,20,23-Tetraoxa-11,14,29,32-tetraazapentacyclo[31.3.1.16,10.115,19.124,28]tetraconta-1(37),6,8,10(40),15,17,19(39),24,26,28(38),33,35-dodecaene [ACD/Index Name]
1126392-68-4 [RN]
2,5,20,23-Tetraoxa-11,14,29,32-tetraazapentacyclo[31.3.1.16,10.115,19.124,28]tetraconta-1(37),6,8,10(40),15,17,19(39),24,26,28(38),33,35-dodecaene
2,5,20,23-Tetraoxa-11,14,29,32-tetraazapentacyclo31.3.1.16,10.115,19.124,28tetraconta-1(37),6,8,10(40),15,17,19(39),24,26,28(38),33,35-dodecaene

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

Density: 1.1±0.1 g/cm3
Boiling Point: 776.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 321.5±22.3 °C
Index of Refraction: 1.541
Molar Refractivity: 155.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 5.52
ACD/BCF (pH 5.5): 8384.87
ACD/KOC (pH 5.5): 19949.06
ACD/LogD (pH 7.4): 5.70
ACD/BCF (pH 7.4): 12512.52
ACD/KOC (pH 7.4): 29769.47
Polar Surface Area: 85 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 493.3±3.0 cm3

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