ChemSpider 2D Image | (14R)-22,33-Dimethoxy-13-methyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.2~16,19~.1~3,10~.1~21,25~.0~4,8~.0~14,39~.0~31,35~]nonatriaconta-1(34),3,8,10(39),16,18,21(36),22,24,27,29,31(35),32,37-te tradecaene | C36H32N2O6

(14R)-22,33-Dimethoxy-13-methyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.014,39.031,35]nonatriaconta-1(34),3,8,10(39),16,18,21(36),22,24,27,29,31(35),32,37-te tradecaene

  • Molecular FormulaC36H32N2O6
  • Average mass588.649 Da
  • Monoisotopic mass588.226013 Da
  • ChemSpider ID29355855

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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(14R)-22,33-Dimethoxy-13-methyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.014,39.031,35]nonatriaconta-1(34),3,8,10(39),16,18,21(36),22,24,27,29,31(35),32,37-te ; tradecaen [German] [ACD/IUPAC Name]
(14R)-22,33-Dimethoxy-13-methyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.014,39.031,35]nonatriaconta-1(34),3,8,10(39),16,18,21(36),22,24,27,29,31(35),32,37-te ; tradecaene [ACD/IUPAC Name]
(14R)-22,33-Diméthoxy-13-méthyl-2,5,7,20-tétraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.014,39.031,35]nonatriaconta-1(34),3,8,10(39),16,18,21(36),22,24,27,29,31(35),32,37-té ; tradécaène [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.642
Molar Refractivity: 166.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 28.75
ACD/KOC (pH 5.5): 87.95
ACD/LogD (pH 7.4): 4.94
ACD/BCF (pH 7.4): 2888.56
ACD/KOC (pH 7.4): 8835.43
Polar Surface Area: 72 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 461.2±3.0 cm3

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