ChemSpider 2D Image | (4S)-3-[5-Oxo-D-(2,3,3,4,4-~2~H_5_)prolyl]-1,3-thiazolidine-4-carboxylic acid | C9H7D5N2O4S

(4S)-3-[5-Oxo-D-(2,3,3,4,4-2H5)prolyl]-1,3-thiazolidine-4-carboxylic acid

  • Molecular FormulaC9H7D5N2O4S
  • Average mass249.298 Da
  • Monoisotopic mass249.083160 Da
  • ChemSpider ID111310780

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(4S)-3-[5-Oxo-D-(2,3,3,4,4-2H5)prolyl]-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
(4S)-3-[5-Oxo-D-(2,3,3,4,4-2H5)prolyl]-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
4-Thiazolidinecarboxylic acid, 3-[[(2R)-5-oxo-2-pyrrolidinyl-2,3,3,4,4-d5]carbonyl]-, (4S)- [ACD/Index Name]
Acide (4S)-3-[5-oxo-D-(2,3,3,4,4-2H5)prolyl]-1,3-thiazolidine-4-carboxylique [French] [ACD/IUPAC Name]

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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