ChemSpider 2D Image | Methyl (1R,3S,3aR,6aS)-1-(2-methoxy-2-oxoethyl)-5-methyl-3-(4-methyl-1H-imidazol-5-yl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylate | C16H20N4O6

Methyl (1R,3S,3aR,6aS)-1-(2-methoxy-2-oxoethyl)-5-methyl-3-(4-methyl-1H-imidazol-5-yl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylate

  • Molecular FormulaC16H20N4O6
  • Average mass364.353 Da
  • Monoisotopic mass364.138275 Da
  • ChemSpider ID29633131

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,3S,3aR,6aS)-1-(2-Méthoxy-2-oxoéthyl)-5-méthyl-3-(4-méthyl-1H-imidazol-5-yl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (1R,3S,3aR,6aS)-1-(2-methoxy-2-oxoethyl)-5-methyl-3-(4-methyl-1H-imidazol-5-yl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylate [ACD/IUPAC Name]
Methyl-(1R,3S,3aR,6aS)-1-(2-methoxy-2-oxoethyl)-5-methyl-3-(4-methyl-1H-imidazol-5-yl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrol-1-carboxylat [German] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrrole-1-acetic acid, octahydro-1-(methoxycarbonyl)-5-methyl-3-(4-methyl-1H-imidazol-5-yl)-4,6-dioxo-, methyl ester, (1R,3S,3aR,6aS)- [ACD/Index Name]
methyl (1R*,3S*,3aR*,6aS*)-1-(2-methoxy-2-oxoethyl)-5-methyl-3-(4-methyl-1H-imidazol-5-yl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 609.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 322.2±31.5 °C
Index of Refraction: 1.553
Molar Refractivity: 86.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.10
ACD/LogD (pH 5.5): -1.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.26
Polar Surface Area: 131 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 268.6±3.0 cm3

Click to predict properties on the Chemicalize site


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