ChemSpider 2D Image | Pyochelin | C14H16N2O3S2

Pyochelin

  • Molecular FormulaC14H16N2O3S2
  • Average mass324.418 Da
  • Monoisotopic mass324.060242 Da
  • ChemSpider ID28533806

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(4R)-2-[(4R)-2-(2-Hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
(4R)-2-[(4R)-2-(2-Hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
4-Thiazolidinecarboxylic acid, 2-[(4R)-4,5-dihydro-2-(2-hydroxyphenyl)-4-thiazolyl]-3-methyl-, (4R)- [ACD/Index Name]
Acide (4R)-2-[(4R)-2-(2-hydroxyphényl)-4,5-dihydro-1,3-thiazol-4-yl]-3-méthyl-1,3-thiazolidine-4-carboxylique [French] [ACD/IUPAC Name]
Pyochelin
69772-54-9 [RN]
  • Miscellaneous

    • Chemical Class:

      A member of the class of thiazolidines that is (4<stereo>R</stereo>)-3-methyl-1,3-thiazolidine-4-carboxylic acid which is substituted at position 2 by a (4<stereo>R</stereo>)-2-(2-hydroxyphenyl)-4,5-d ihydro-1,3-thiazol-4-yl group. A siderophore, it is it is produced by <ital>Pseudomonas aeruginosa</ital> (<ital>via</ital> condensation of salicylic acid and two molecules of cysteine) as a mixture o f two easily interconvertible diastereoisomers, pyochelin I (major) and pyochelin II (minor). The enantiomeric compounds, <ital>enant</ital>-pyochelin, are produced by <ital>Pseudomonas fluorescens</i tal>. ChEBI CHEBI:29669
      A member of the class of thiazolidines that is (4R)-3-methyl-1,3-thiazolidine-4-carboxylic acid which is substituted at position 2 by a (4R)-2-(2-hydroxyphenyl)-4,5-d; ihydro-1,3-thiazol-4-yl group. A siderophore, it is it is produced by Pseudomonas aeruginosa (via condensation of salicylic acid and two molecules of cysteine) as a mixture o; f two easily interconvertible diastereoisomers, pyocheli n I (major) and pyochelin II (minor). The enantiomeric compounds, enant-pyochelin, are produced by Pseudomonas fluorescens. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:29669
      A member of the class of thiazolidines that is (4R)-3-methyl-1,3-thiazolidine-4-carboxylic acid which is substituted at position 2 by a (4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl group. A s iderophore that is produced by Pseudomonas aeruginosa (via condensation of salicylic acid and two molecules of cysteine) as a mixture of two easily interconvertible diastereoisomers, pyochelin I (majo r) and pyochelin II (minor). The enantiomeric compounds, enant-pyochelin, are produced by Pseudomonas fluorescens. ChEBI CHEBI:29669

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

Density: 1.6±0.1 g/cm3
Boiling Point: 558.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 291.4±32.9 °C
Index of Refraction: 1.746
Molar Refractivity: 84.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.28
ACD/LogD (pH 5.5): -0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 66.0±7.0 dyne/cm
Molar Volume: 208.0±7.0 cm3

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