ChemSpider 2D Image | (1R,2S,6S,7S,1'R,2'R,6'S,7'S)-4,4'-[1,4-Piperazinediylbis(3-oxo-3,1-propanediyl)]bis(4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione) | C28H32N4O6

(1R,2S,6S,7S,1'R,2'R,6'S,7'S)-4,4'-[1,4-Piperazinediylbis(3-oxo-3,1-propanediyl)]bis(4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione)

  • Molecular FormulaC28H32N4O6
  • Average mass520.577 Da
  • Monoisotopic mass520.232178 Da
  • ChemSpider ID62689316

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,2S,6S,7S,1'R,2'R,6'S,7'S)-4,4'-[1,4-Piperazindiylbis(3-oxo-3,1-propandiyl)]bis(4-azatricyclo[5.2.1.02,6]dec-8-en-3,5-dion) [German] [ACD/IUPAC Name]
(1R,2S,6S,7S,1'R,2'R,6'S,7'S)-4,4'-[1,4-Piperazinediylbis(3-oxo-3,1-propanediyl)]bis(4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione) [ACD/IUPAC Name]
(1R,2S,6S,7S,1'R,2'R,6'S,7'S)-4,4'-[1,4-Pipérazinediylbis(3-oxo-3,1-propanediyl)]bis(4-azatricyclo[5.2.1.02,6]déc-8-ène-3,5-dione) [French] [ACD/IUPAC Name]
4,7-Methano-1H-isoindole-1,3(2H)-dione, 2,2'-[1,4-piperazinediylbis(3-oxo-3,1-propanediyl)]bis[3a,4,7,7a-tetrahydro-, (3aS,4R,7S,7aS,3'aR,4'R,7'S,7'aS)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.629
Molar Refractivity: 131.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.17
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.13
ACD/KOC (pH 5.5): 37.94
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.13
ACD/KOC (pH 7.4): 37.94
Polar Surface Area: 115 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 62.7±3.0 dyne/cm
Molar Volume: 369.7±3.0 cm3

Click to predict properties on the Chemicalize site


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