ChemSpider 2D Image | (6S)-6-[(1S)-1-Methoxyethyl]-1-methyl-3-methylene-2,5-piperazinedione | C9H14N2O3

(6S)-6-[(1S)-1-Methoxyethyl]-1-methyl-3-methylene-2,5-piperazinedione

  • Molecular FormulaC9H14N2O3
  • Average mass198.219 Da
  • Monoisotopic mass198.100449 Da
  • ChemSpider ID40256683

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6S)-6-[(1S)-1-Methoxyethyl]-1-methyl-3-methylen-2,5-piperazindion [German] [ACD/IUPAC Name]
(6S)-6-[(1S)-1-Methoxyethyl]-1-methyl-3-methylene-2,5-piperazinedione [ACD/IUPAC Name]
(6S)-6-[(1S)-1-Méthoxyéthyl]-1-méthyl-3-méthylène-2,5-pipérazinedione [French] [ACD/IUPAC Name]
2,5-Piperazinedione, 6-[(1S)-1-methoxyethyl]-1-methyl-3-methylene-, (6S)- [ACD/Index Name]
Xestostreptin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 445.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.4±3.0 kJ/mol
Flash Point: 223.5±28.7 °C
Index of Refraction: 1.508
Molar Refractivity: 50.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.01
ACD/LogD (pH 5.5): -0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.12
ACD/LogD (pH 7.4): -0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.12
Polar Surface Area: 59 Å2
Polarizability: 20.1±0.5 10-24cm3
Surface Tension: 39.9±5.0 dyne/cm
Molar Volume: 170.1±5.0 cm3

Click to predict properties on the Chemicalize site


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