ChemSpider 2D Image | (2R,4S)-2-[(1R)-2-Ethoxy-2-oxo-1-phenylethyl]-1,3-thiazolidine-4-carboxylic acid | C14H17NO4S

(2R,4S)-2-[(1R)-2-Ethoxy-2-oxo-1-phenylethyl]-1,3-thiazolidine-4-carboxylic acid

  • Molecular FormulaC14H17NO4S
  • Average mass295.354 Da
  • Monoisotopic mass295.087830 Da
  • ChemSpider ID34985686

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,4S)-2-[(1R)-2-Ethoxy-2-oxo-1-phenylethyl]-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
(2R,4S)-2-[(1R)-2-Ethoxy-2-oxo-1-phenylethyl]-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
2-Thiazolidineacetic acid, 4-carboxy-α-phenyl-, α-ethyl ester, (αR,2R,4S)- [ACD/Index Name]
Acide (2R,4S)-2-[(1R)-2-éthoxy-2-oxo-1-phényléthyl]-1,3-thiazolidine-4-carboxylique [French] [ACD/IUPAC Name]
1950-36-3 [RN]
Leucogen
UNII-5ZB58O726V

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

Density: 1.3±0.1 g/cm3
Boiling Point: 479.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 243.8±28.7 °C
Index of Refraction: 1.582
Molar Refractivity: 76.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 228.5±3.0 cm3

Click to predict properties on the Chemicalize site


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