ChemSpider 2D Image | 2,2'-{1,4,10-Trioxa-7,13-diazacyclopentadecane-7,13-diylbis[(2S)-1-oxo-1,2-propanediyl]}bis(1H-isoindole-1,3(2H)-dione) | C32H36N4O9

2,2'-{1,4,10-Trioxa-7,13-diazacyclopentadecane-7,13-diylbis[(2S)-1-oxo-1,2-propanediyl]}bis(1H-isoindole-1,3(2H)-dione)

  • Molecular FormulaC32H36N4O9
  • Average mass620.650 Da
  • Monoisotopic mass620.248230 Da
  • ChemSpider ID5427713

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Isoindole-1,3(2H)-dione, 2,2'-[1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-diylbis[(1S)-1-methyl-2-oxo-2,1-ethanediyl]]bis- [ACD/Index Name]
2,2'-{1,4,10-Trioxa-7,13-diazacyclopentadecan-7,13-diylbis[(2S)-1-oxo-1,2-propandiyl]}bis(1H-isoindol-1,3(2H)-dion) [German] [ACD/IUPAC Name]
2,2'-{1,4,10-Trioxa-7,13-diazacyclopentadecane-7,13-diylbis[(2S)-1-oxo-1,2-propanediyl]}bis(1H-isoindole-1,3(2H)-dione) [ACD/IUPAC Name]
2,2'-{1,4,10-Trioxa-7,13-diazacyclopentadécane-7,13-diylbis[(2S)-1-oxo-1,2-propanediyl]}bis(1H-isoindole-1,3(2H)-dione) [French] [ACD/IUPAC Name]

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

ZINC04018349 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 826.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.2±3.0 kJ/mol
Flash Point: 453.9±34.3 °C
Index of Refraction: 1.582
Molar Refractivity: 156.9±0.3 cm3
#H bond acceptors: 13
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.42
ACD/KOC (pH 5.5): 290.89
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.42
ACD/KOC (pH 7.4): 290.89
Polar Surface Area: 143 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 470.1±3.0 cm3

Click to predict properties on the Chemicalize site


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