ChemSpider 2D Image | 7,15,23,31-Tetramethyl-1,5,9,13,17,21,25,29-octaazapentacyclo[27.3.1.1~5,9~.1~13,17~.1~21,25~]hexatriaconta-7,14,23,30-tetraene-6,16,22,32,33,34,35,36-octone | C32H40N8O8

7,15,23,31-Tetramethyl-1,5,9,13,17,21,25,29-octaazapentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-7,14,23,30-tetraene-6,16,22,32,33,34,35,36-octone

  • Molecular FormulaC32H40N8O8
  • Average mass664.709 Da
  • Monoisotopic mass664.296936 Da
  • ChemSpider ID168574

More details:

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

1,5,9,13,17,21,25,29-Octaazapentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-7,14,23,30-tetraene-6,16,22,32,33,34,35,36-octone, 7,15,23,31-tetramethyl- [ACD/Index Name]
7,15,23,31-Tetramethyl-1,5,9,13,17,21,25,29-octaazapentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-7,14,23,30-tetraen-6,16,22,32,33,34,35,36-octon [German] [ACD/IUPAC Name]
7,15,23,31-Tetramethyl-1,5,9,13,17,21,25,29-octaazapentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-7,14,23,30-tetraene-6,16,22,32,33,34,35,36-octone [ACD/IUPAC Name]
7,15,23,31-Tétraméthyl-1,5,9,13,17,21,25,29-octaazapentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-7,14,23,30-tétraène-6,16,22,32,33,34,35,36-octone [French] [ACD/IUPAC Name]
1,3-Trimethylene thymine cyclic tetramer
1,3-Ttct
1,5,9,13,17,21,25,29-Octaazapentacyclo(27.3.1.15,9.113,17.121,25)hexatriaconta-7,14,23,30-tetraene-6,16,22,32,33,34,35,36-octone, 7,15,23,31-tetramethyl-
68675-73-0 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 791.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.2±3.0 kJ/mol
Flash Point: 326.1±28.0 °C
Index of Refraction: 1.675
Molar Refractivity: 170.7±0.4 cm3
#H bond acceptors: 16
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 42.01
ACD/KOC (pH 5.5): 505.33
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 42.01
ACD/KOC (pH 7.4): 505.33
Polar Surface Area: 162 Å2
Polarizability: 67.7±0.5 10-24cm3
Surface Tension: 78.5±5.0 dyne/cm
Molar Volume: 454.2±5.0 cm3

Click to predict properties on the Chemicalize site


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