ChemSpider 2D Image | Tetramethyl 6,6',6'',6'''-[2,4,10,12,18,20,26,28-octaoxo-3,11,19,27-tetraazapentacyclo[27.3.1.1~5,9~.1~13,17~.1~21,25~]hexatriaconta-1(33),5(36),6,8,13(35),14,16,21(34),22,24,29,31-dodecaene-3,11,19,2 7-tetrayl]tetranicotinate | C60H40N8O16

Tetramethyl 6,6',6'',6'''-[2,4,10,12,18,20,26,28-octaoxo-3,11,19,27-tetraazapentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-1(33),5(36),6,8,13(35),14,16,21(34),22,24,29,31-dodecaene-3,11,19,2 7-tetrayl]tetranicotinate

  • Molecular FormulaC60H40N8O16
  • Average mass1129.004 Da
  • Monoisotopic mass1128.256226 Da
  • ChemSpider ID30654596

More details:

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

3-Pyridinecarboxylic acid, 6,6',6'',6'''-[2,4,10,12,18,20,26,28-octaoxo-3,11,19,27-tetraazapentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-1(33),5,7,9(36),13,15,17(35),21,23,25(34),29,31-dode ;caene-3,11,19,27-tetrayl]tetrakis-, tetramethyl ester [ACD/Index Name]
6,6',6'',6'''-[2,4,10,12,18,20,26,28-Octaoxo-3,11,19,27-tétraazapentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-1(33),5(36),6,8,13(35),14,16,21(34),22,24,29,31-dodécaène-3,11,19,27-tétrayl]te
 tranicotinate de tétraméthyle [French] [ACD/IUPAC Name]
Tetramethyl 6,6',6'',6'''-[2,4,10,12,18,20,26,28-octaoxo-3,11,19,27-tetraazapentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-1(33),5(36),6,8,13(35),14,16,21(34),22,24,29,31-dodecaene-3,11,19,2 7-tetrayl]tetranicotinate [ACD/IUPAC Name]
Tetramethyl-6,6',6'',6'''-[2,4,10,12,18,20,26,28-octaoxo-3,11,19,27-tetraazapentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-1(33),5(36),6,8,13(35),14,16,21(34),22,24,29,31-dodecaen-3,11,19,27 -tetrayl]tetranicotinat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.648
Molar Refractivity: 287.8±0.3 cm3
#H bond acceptors: 24
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 1.48
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 729.11
ACD/KOC (pH 5.5): 3897.39
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 729.20
ACD/KOC (pH 7.4): 3897.87
Polar Surface Area: 306 Å2
Polarizability: 114.1±0.5 10-24cm3
Surface Tension: 65.2±3.0 dyne/cm
Molar Volume: 791.5±3.0 cm3

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