ChemSpider 2D Image | 19,33-Dimethoxy-13,28-dimethyl-2,5,7,21-tetraoxa-13,28-diazaoctacyclo[25.6.2.2~22,25~.1~3,10~.1~16,20~.0~4,8~.0~14,39~.0~31,35~]nonatriaconta-1(33),3,8,10(39),16(38),17,19,22,24,31,34,36-dodecaene | C37H38N2O6

19,33-Dimethoxy-13,28-dimethyl-2,5,7,21-tetraoxa-13,28-diazaoctacyclo[25.6.2.222,25.13,10.116,20.04,8.014,39.031,35]nonatriaconta-1(33),3,8,10(39),16(38),17,19,22,24,31,34,36-dodecaene

  • Molecular FormulaC37H38N2O6
  • Average mass606.707 Da
  • Monoisotopic mass606.273010 Da
  • ChemSpider ID323233

More details:

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

19,33-Dimethoxy-13,28-dimethyl-2,5,7,21-tetraoxa-13,28-diazaoctacyclo[25.6.2.222,25.13,10.116,20.04,8.014,39.031,35]nonatriaconta-1(33),3,8,10(39),16(38),17,19,22,24,31,34,36-dodecaen [German] [ACD/IUPAC Name]
19,33-Dimethoxy-13,28-dimethyl-2,5,7,21-tetraoxa-13,28-diazaoctacyclo[25.6.2.222,25.13,10.116,20.04,8.014,39.031,35]nonatriaconta-1(33),3,8,10(39),16(38),17,19,22,24,31,34,36-dodecaene [ACD/IUPAC Name]
19,33-Diméthoxy-13,28-diméthyl-2,5,7,21-tétraoxa-13,28-diazaoctacyclo[25.6.2.222,25.13,10.116,20.04,8.014,39.031,35]nonatriaconta-1(33),3,8,10(39),16(38),17,19,22,24,31,34,36-dodécaène [French] [ACD/IUPAC Name]

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

NCI60_009662 [DBID]
NSC629744 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.608
Molar Refractivity: 170.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 1.38
ACD/KOC (pH 5.5): 4.05
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1218.24
ACD/KOC (pH 7.4): 3578.37
Polar Surface Area: 62 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 494.3±3.0 cm3

Click to predict properties on the Chemicalize site


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