ChemSpider 2D Image | N-(2-Hydroxyethyl)-9-oxo-11-{2-[(4,12,12-trimethyl-5-oxatricyclo[8.2.0.0~4,6~]dodec-9-ylidene)methyl]benzyl}-3,5,8,12-tetraoxa-11-azatetracyclo[5.5.2.0~2,6~.0~10,13~]tetradecane-13-carboxamide | C34H44N2O8

N-(2-Hydroxyethyl)-9-oxo-11-{2-[(4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodec-9-ylidene)methyl]benzyl}-3,5,8,12-tetraoxa-11-azatetracyclo[5.5.2.02,6.010,13]tetradecane-13-carboxamide

  • Molecular FormulaC34H44N2O8
  • Average mass608.722 Da
  • Monoisotopic mass608.309753 Da
  • ChemSpider ID3533300

More details:

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

5,3-(Epoxymethano)[1,3]dioxolo[4,5-g]-1,2-benzisoxazole-3a(4H)-carboxamide, hexahydro-N-(2-hydroxyethyl)-10-oxo-2-[[2-[(4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodec-9-ylidene)methyl]phenyl]methy l]- [ACD/Index Name]
N-(2-Hydroxyethyl)-9-oxo-11-{2-[(4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodec-9-yliden)methyl]benzyl}-3,5,8,12-tetraoxa-11-azatetracyclo[5.5.2.02,6.010,13]tetradecan-13-carboxamid [German] [ACD/IUPAC Name]
N-(2-Hydroxyethyl)-9-oxo-11-{2-[(4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodec-9-ylidene)methyl]benzyl}-3,5,8,12-tetraoxa-11-azatetracyclo[5.5.2.02,6.010,13]tetradecane-13-carboxamide [ACD/IUPAC Name]
N-(2-Hydroxyéthyl)-9-oxo-11-{2-[(4,12,12-triméthyl-5-oxatricyclo[8.2.0.04,6]dodéc-9-ylidène)méthyl]benzyl}-3,5,8,12-tétraoxa-11-azatétracyclo[5.5.2.02,6.010,13]tétradécane-13-carboxamide [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: 1.603
Molar Refractivity: 160.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 259.03
ACD/KOC (pH 5.5): 1858.16
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 259.03
ACD/KOC (pH 7.4): 1858.16
Polar Surface Area: 119 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 467.8±3.0 cm3

Click to predict properties on the Chemicalize site


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