ChemSpider 2D Image | (4R)-3-(5-Oxo-D-prolyl)-1,3-thiazolidine-4-carboxylic acid | C9H12N2O4S

(4R)-3-(5-Oxo-D-prolyl)-1,3-thiazolidine-4-carboxylic acid

  • Molecular FormulaC9H12N2O4S
  • Average mass244.268 Da
  • Monoisotopic mass244.051773 Da
  • ChemSpider ID29273425
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(4R)-3-(5-Oxo-D-prolyl)-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
(4R)-3-(5-Oxo-D-prolyl)-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
(R)-3-((R)-5-Oxopyrrolidine-2-carbonyl)thiazolidine-4-carboxylic acid
162148-17-6 [RN]
4-Thiazolidinecarboxylic acid, 3-[[(2R)-5-oxo-2-pyrrolidinyl]carbonyl]-, (4R)- [ACD/Index Name]
Acide (4R)-3-(5-oxo-D-prolyl)-1,3-thiazolidine-4-carboxylique [French] [ACD/IUPAC Name]
3-D-pyroglutamyl-D-thiazolidine-4-carboxylic acid
3-D-pyroglutamyl-L-thiazolidine-4-carboxylic acid

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.7±0.1 g/cm3
    Boiling Point: 611.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.0 mmHg at 25°C
    Enthalpy of Vaporization: 104.2±6.0 kJ/mol
    Flash Point: 323.9±34.3 °C
    Index of Refraction: 1.755
    Molar Refractivity: 57.2±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -1.94
    ACD/LogD (pH 5.5): -3.96
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -5.01
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 116 Å2
    Polarizability: 22.7±0.5 10-24cm3
    Surface Tension: 80.5±7.0 dyne/cm
    Molar Volume: 139.6±7.0 cm3

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