ChemSpider 2D Image | 8,19-Bis(benzyloxy)-9,12,20-trioxo-1-phenyl-2-oxa-8,13,19-triazatricosan-23-oic acid | C39H51N3O8

8,19-Bis(benzyloxy)-9,12,20-trioxo-1-phenyl-2-oxa-8,13,19-triazatricosan-23-oic acid

  • Molecular FormulaC39H51N3O8
  • Average mass689.838 Da
  • Monoisotopic mass689.367615 Da
  • ChemSpider ID8708048

More details:

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

2-Oxa-8,13,19-triazatricosan-23-oic acid, 9,12,20-trioxo-1-phenyl-8,19-bis(phenylmethoxy)- [ACD/Index Name]
8,19-Bis(benzyloxy)-9,12,20-trioxo-1-phenyl-2-oxa-8,13,19-triazatricosan-23-oic acid [ACD/IUPAC Name]
8,19-Bis(benzyloxy)-9,12,20-trioxo-1-phenyl-2-oxa-8,13,19-triazatricosan-23-säure [German] [ACD/IUPAC Name]
Acide 8,19-bis(benzyloxy)-9,12,20-trioxo-1-phényl-2-oxa-8,13,19-triazatricosan-23-oïque [French] [ACD/IUPAC Name]

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: 1.565
Molar Refractivity: 190.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 3
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 1687.04
ACD/KOC (pH 5.5): 5645.39
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 38.55
ACD/KOC (pH 7.4): 129.01
Polar Surface Area: 135 Å2
Polarizability: 75.6±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 585.7±3.0 cm3

Click to predict properties on the Chemicalize site


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