ChemSpider 2D Image | Diethyl {(1S)-1-hydroxy-1-[(2R)-1-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]ethyl}phosphonate | C11H20NO5P

Diethyl {(1S)-1-hydroxy-1-[(2R)-1-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]ethyl}phosphonate

  • Molecular FormulaC11H20NO5P
  • Average mass277.254 Da
  • Monoisotopic mass277.107910 Da
  • ChemSpider ID75567331

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{(1S)-1-Hydroxy-1-[(2R)-1-méthyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]éthyl}phosphonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl {(1S)-1-hydroxy-1-[(2R)-1-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]ethyl}phosphonate [ACD/IUPAC Name]
Diethyl-{(1S)-1-hydroxy-1-[(2R)-1-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]ethyl}phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[(1S)-1-[(2R)-2,5-dihydro-1-methyl-5-oxo-1H-pyrrol-2-yl]-1-hydroxyethyl]-, diethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 449.7±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 81.7±6.0 kJ/mol
Flash Point: 225.8±26.8 °C
Index of Refraction: 1.502
Molar Refractivity: 65.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.51
ACD/LogD (pH 5.5): -0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.27
ACD/LogD (pH 7.4): -0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.27
Polar Surface Area: 86 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 223.2±3.0 cm3

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