ChemSpider 2D Image | 33-Methoxy-13,28-dimethyl-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(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dodecaen-22-ol | C36H36N2O6

33-Methoxy-13,28-dimethyl-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(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dodecaen-22-ol

  • Molecular FormulaC36H36N2O6
  • Average mass592.681 Da
  • Monoisotopic mass592.257324 Da
  • ChemSpider ID7984392

More details:

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

33-Methoxy-13,28-dimethyl-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(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dodecaen-22-ol [ACD/IUPAC Name]
33-Methoxy-13,28-dimethyl-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(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dodecaen-22-ol [German] [ACD/IUPAC Name]
33-Méthoxy-13,28-diméthyl-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(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dodécaén-22-ol [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: 1.627
Molar Refractivity: 166.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 1.59
ACD/KOC (pH 5.5): 4.55
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 1491.39
ACD/KOC (pH 7.4): 4269.72
Polar Surface Area: 73 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 468.7±3.0 cm3

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