ChemSpider 2D Image | (4,4,5,5,14,14,15,15,24,24,25,25-~2~H_12_)-3,6,13,16,23,26-Hexaoxatetracyclo[26.2.2.2~8,11~.2~18,21~]hexatriaconta-1(30),8,10,18,20,28,31,33,35-nonaene-2,7,12,17,22,27-hexone | C30H12D12O12

(4,4,5,5,14,14,15,15,24,24,25,25-2H12)-3,6,13,16,23,26-Hexaoxatetracyclo[26.2.2.28,11.218,21]hexatriaconta-1(30),8,10,18,20,28,31,33,35-nonaene-2,7,12,17,22,27-hexone

  • Molecular FormulaC30H12D12O12
  • Average mass588.578 Da
  • Monoisotopic mass588.202087 Da
  • ChemSpider ID107435970

  • Non-standard isotope - Non-standard isotope

More details:

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

(4,4,5,5,14,14,15,15,24,24,25,25-2H12)-3,6,13,16,23,26-Hexaoxatetracyclo[26.2.2.28,11.218,21]hexatriaconta-1(30),8,10,18,20,28,31,33,35-nonaen-2,7,12,17,22,27-hexon [German] [ACD/IUPAC Name]
(4,4,5,5,14,14,15,15,24,24,25,25-2H12)-3,6,13,16,23,26-Hexaoxatetracyclo[26.2.2.28,11.218,21]hexatriaconta-1(30),8,10,18,20,28,31,33,35-nonaene-2,7,12,17,22,27-hexone [ACD/IUPAC Name]
(4,4,5,5,14,14,15,15,24,24,25,25-2H12)-3,6,13,16,23,26-Hexaoxatétracyclo[26.2.2.28,11.218,21]hexatriaconta-1(30),8,10,18,20,28,31,33,35-nonaène-2,7,12,17,22,27-hexone [French] [ACD/IUPAC Name]
3,6,13,16,23,26-Hexaoxatetracyclo[26.2.2.28,11.218,21]hexatriaconta-8,10,18,20,28,30,31,33,35-nonaene-2,7,12,17,22,27-hexone-4,4,5,5,14,14,15,15,24,24,25,25-d12 [ACD/Index 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: 956.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.4±3.0 kJ/mol
Flash Point: 393.1±34.3 °C
Index of Refraction: 1.546
Molar Refractivity: 139.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 1.05
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 108.74
ACD/KOC (pH 5.5): 998.27
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 108.74
ACD/KOC (pH 7.4): 998.27
Polar Surface Area: 158 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 440.4±3.0 cm3

Click to predict properties on the Chemicalize site


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