ChemSpider 2D Image | 5,13,21-Tribenzyl-1,9,17-trioxa-2,5,6,10,13,14,18,21,22-nonaazacyclotetracosane-3,7,11,15,19,23-hexone | C33H39N9O9

5,13,21-Tribenzyl-1,9,17-trioxa-2,5,6,10,13,14,18,21,22-nonaazacyclotetracosane-3,7,11,15,19,23-hexone

  • Molecular FormulaC33H39N9O9
  • Average mass705.718 Da
  • Monoisotopic mass705.287048 Da
  • ChemSpider ID30659421

More details:

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

1,9,17-Trioxa-2,5,6,10,13,14,18,21,22-nonaazacyclotetracosane-3,7,11,15,19,23-hexone, 5,13,21-tris(phenylmethyl)- [ACD/Index Name]
5,13,21-Tribenzyl-1,9,17-trioxa-2,5,6,10,13,14,18,21,22-nonaazacyclotetracosan-3,7,11,15,19,23-hexon [German] [ACD/IUPAC Name]
5,13,21-Tribenzyl-1,9,17-trioxa-2,5,6,10,13,14,18,21,22-nonaazacyclotetracosane-3,7,11,15,19,23-hexone [ACD/IUPAC Name]
5,13,21-Tribenzyl-1,9,17-trioxa-2,5,6,10,13,14,18,21,22-nonaazacyclotétracosane-3,7,11,15,19,23-hexone [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: 1.551
Molar Refractivity: 179.2±0.3 cm3
#H bond acceptors: 18
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -4.25
ACD/LogD (pH 5.5): -2.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 212 Å2
Polarizability: 71.1±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 562.1±3.0 cm3

Click to predict properties on the Chemicalize site


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