ChemSpider 2D Image | 2-Methyl 3-(2-methyl-2-propanyl) (2S,3S,5aS,10aS)-5,10-dioxooctahydro-1H,5H-dipyrrolo[1,2-a:1',2'-d]pyrazine-2,3-dicarboxylate | C17H24N2O6

2-Methyl 3-(2-methyl-2-propanyl) (2S,3S,5aS,10aS)-5,10-dioxooctahydro-1H,5H-dipyrrolo[1,2-a:1',2'-d]pyrazine-2,3-dicarboxylate

  • Molecular FormulaC17H24N2O6
  • Average mass352.382 Da
  • Monoisotopic mass352.163422 Da
  • ChemSpider ID30658960

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3S,5aS,10aS)-5,10-Dioxooctahydro-1H,5H-dipyrrolo[1,2-a:1',2'-d]pyrazine-2,3-dicarboxylate de 2-méthyle et de 3-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1H,5H-Dipyrrolo[1,2-a:1',2'-d]pyrazine-2,3-dicarboxylic acid, octahydro-5,10-dioxo-, 3-(1,1-dimethylethyl) 2-methyl ester, (2S,3S,5aS,10aS)- [ACD/Index Name]
2-Methyl 3-(2-methyl-2-propanyl) (2S,3S,5aS,10aS)-5,10-dioxooctahydro-1H,5H-dipyrrolo[1,2-a:1',2'-d]pyrazine-2,3-dicarboxylate [ACD/IUPAC Name]
2-Methyl-3-(2-methyl-2-propanyl)-(2S,3S,5aS,10aS)-5,10-dioxooctahydro-1H,5H-dipyrrolo[1,2-a:1',2'-d]pyrazin-2,3-dicarboxylat [German] [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: 528.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 273.2±30.1 °C
Index of Refraction: 1.557
Molar Refractivity: 86.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.06
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.38
ACD/KOC (pH 5.5): 43.86
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.38
ACD/KOC (pH 7.4): 43.86
Polar Surface Area: 93 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 53.4±5.0 dyne/cm
Molar Volume: 268.0±5.0 cm3

Click to predict properties on the Chemicalize site


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