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

(4S)-3-(5-Oxo-L-prolyl)-1,3-thiazolidine-4-carboxylic acid

  • Molecular FormulaC9H12N2O4S
  • Average mass244.268 Da
  • Monoisotopic mass244.051773 Da
  • ChemSpider ID29787874

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-3-(5-Oxo-L-prolyl)-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
(4S)-3-(5-Oxo-L-prolyl)-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
(S)-3-((S)-5-Oxopyrrolidine-2-carbonyl)thiazolidine-4-carboxylic acid
162148-16-5 [RN]
4-Thiazolidinecarboxylic acid, 3-[[(2S)-5-oxo-2-pyrrolidinyl]carbonyl]-, (4S)- [ACD/Index Name]
Acide (4S)-3-(5-oxo-L-prolyl)-1,3-thiazolidine-4-carboxylique [French] [ACD/IUPAC Name]
(4R)-3-[[(2S)-5-oxo-2-pyrrolidinyl]carbonyl]-4-thiazolidinecarboxylic acid
(4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
-[[(2S)-5-oxo-2-pyrrolidinyl]carbonyl]-4-thiazolidinecarboxylic acid
121808-62-6 [RN]
More...

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 663.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.3 mmHg at 25°C
    Enthalpy of Vaporization: 106.3±6.0 kJ/mol
    Flash Point: 354.8±31.5 °C
    Index of Refraction: 1.619
    Molar Refractivity: 56.2±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -2.38
    ACD/LogD (pH 5.5): -4.06
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -5.31
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 112 Å2
    Polarizability: 22.3±0.5 10-24cm3
    Surface Tension: 72.4±3.0 dyne/cm
    Molar Volume: 160.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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