ChemSpider 2D Image | (R)-(5-Oxopyrrolidin-2-yl)methyl 4-methylbenzenesulfonate | C12H15NO4S

(R)-(5-Oxopyrrolidin-2-yl)methyl 4-methylbenzenesulfonate

  • Molecular FormulaC12H15NO4S
  • Average mass269.317 Da
  • Monoisotopic mass269.072174 Da
  • ChemSpider ID28638957

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5R)-5-[[[(4-Methylphenyl)sulfonyl]oxy]methyl]-2-pyrrolidinone
(R)-(5-Oxopyrrolidin-2-yl)methyl 4-methylbenzenesulfonate
[(2R)-5-Oxo-2-pyrrolidinyl]methyl 4-methylbenzenesulfonate [ACD/IUPAC Name]
[(2R)-5-Oxo-2-pyrrolidinyl]methyl-4-methylbenzolsulfonat [German] [ACD/IUPAC Name]
128899-31-0 [RN]
2-Pyrrolidinone, 5-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-, (5R)- [ACD/Index Name]
4-Méthylbenzènesulfonate de [(2R)-5-oxo-2-pyrrolidinyl]méthyle [French] [ACD/IUPAC Name]
(+)-D-PYROGLUTAMOL P-TOLUENESULFONATE
[(2R)-5-Oxopyrrolidin-2-yl]methyl 4-methylbenzene-1-sulfonate
[(2R)-5-OXOPYRROLIDIN-2-YL]METHYL 4-METHYLBENZENESULFONATE
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 504.8±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.4±3.0 kJ/mol
    Flash Point: 259.1±22.6 °C
    Index of Refraction: 1.545
    Molar Refractivity: 66.8±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -0.47
    ACD/LogD (pH 5.5): 1.01
    ACD/BCF (pH 5.5): 3.44
    ACD/KOC (pH 5.5): 84.30
    ACD/LogD (pH 7.4): 1.01
    ACD/BCF (pH 7.4): 3.44
    ACD/KOC (pH 7.4): 84.30
    Polar Surface Area: 81 Å2
    Polarizability: 26.5±0.5 10-24cm3
    Surface Tension: 44.1±3.0 dyne/cm
    Molar Volume: 211.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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