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

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

  • Molecular FormulaC9H12N2O4S
  • Average mass244.268 Da
  • Monoisotopic mass244.051773 Da
  • ChemSpider ID18609880

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

3-(5-Oxo-L-prolyl)-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
3-(5-Oxo-L-prolyl)-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
4-Thiazolidinecarboxylic acid, 3-[[(2S)-5-oxo-2-pyrrolidinyl]carbonyl]- [ACD/Index Name]
Acide 3-(5-oxo-L-prolyl)-1,3-thiazolidine-4-carboxylique [French] [ACD/IUPAC Name]
(R)-3-[(S)-(5-oxo-2-pyrrolidinyl)cardoxyl]-thiazol
121808-62-6 [RN]
162148-15-4 [RN]
3-{[(2S)-5-oxopyrrolidin-2-yl]carbonyl}-1,3-thiazolidine-4-carboxylic acid
3-D-pyroglutamyl-D-thiazolidine-4-carboxylic acid

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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