ChemSpider 2D Image | (7S)-7-Hydroxy-3-isobutylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione | C11H18N2O3

(7S)-7-Hydroxy-3-isobutylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione

  • Molecular FormulaC11H18N2O3
  • Average mass226.272 Da
  • Monoisotopic mass226.131744 Da
  • ChemSpider ID68024988

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(7S)-7-Hydroxy-3-isobutylhexahydropyrrolo[1,2-a]pyrazin-1,4-dion [German] [ACD/IUPAC Name]
(7S)-7-Hydroxy-3-isobutylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione [ACD/IUPAC Name]
(7S)-7-Hydroxy-3-isobutylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione [French] [ACD/IUPAC Name]
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-7-hydroxy-3-(2-methylpropyl)-, (7S)- [ACD/Index Name]
Cyclo(L-Leu-trans-4-hydroxy-L-Pro)

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

Density: 1.2±0.1 g/cm3
Boiling Point: 486.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.7±6.0 kJ/mol
Flash Point: 248.2±28.7 °C
Index of Refraction: 1.554
Molar Refractivity: 58.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -2.12
ACD/LogD (pH 5.5): -0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.93
ACD/LogD (pH 7.4): -0.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.93
Polar Surface Area: 70 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 181.3±5.0 cm3

Click to predict properties on the Chemicalize site


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