ChemSpider 2D Image | 8-[(E)-(1-Hexyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1',3,3'-trimethyl-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione | C29H36N6O6

8-[(E)-(1-Hexyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1',3,3'-trimethyl-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione

  • Molecular FormulaC29H36N6O6
  • Average mass564.633 Da
  • Monoisotopic mass564.269653 Da
  • ChemSpider ID22881015

  • Double-bond stereo - Double-bond stereo

More details:

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

8-[(E)-(1-Hexyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1',3,3'-trimethyl-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione [ACD/IUPAC Name]
Spiro[1H-pyrazino[1,2-a]quinoline-5(6H),5'(2'H)-pyrimidine]-2',4',6'(1'H,3'H)-trione, 8-[(E)-(1-hexyltetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]-2,3,4,4a-tetrahydro-1',3,3'-trimethyl- [ACD/Index Name]
8-[(E)-(1-hexyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1',3,3'-trimethyl-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione

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: 1.659
Molar Refractivity: 148.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 3.66
ACD/KOC (pH 5.5): 38.63
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 37.59
ACD/KOC (pH 7.4): 397.16
Polar Surface Area: 131 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 71.9±5.0 dyne/cm
Molar Volume: 402.7±5.0 cm3

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