Found 1 result

Search term: DXFWBOQUFGDWDP-CMJQBAFXSA-M (Found by InChIKey (full match))
ChemSpider 2D Image | (5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-Ammonio-2-carboxylatoethyl]sulfanyl}-5-hydroxy-20-oxo-7,9,11,14-icosatetraenoate | C23H34NO6S

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-Ammonio-2-carboxylatoethyl]sulfanyl}-5-hydroxy-20-oxo-7,9,11,14-icosatetraenoate

  • Molecular FormulaC23H34NO6S
  • Average mass452.585 Da
  • Monoisotopic mass452.211243 Da
  • ChemSpider ID58170396

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-Ammonio-2-carboxylatoethyl]sulfanyl}-5-hydroxy-20-oxo-7,9,11,14-icosatetraenoat [German] [ACD/IUPAC Name]
(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-Ammonio-2-carboxylatoethyl]sulfanyl}-5-hydroxy-20-oxo-7,9,11,14-icosatetraenoate [ACD/IUPAC Name]
(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-Ammonio-2-carboxylatoéthyl]sulfanyl}-5-hydroxy-20-oxo-7,9,11,14-icosatétraénoate [French] [ACD/IUPAC Name]
7,9,11,14-Eicosatetraenoic acid, 6-[[(2R)-2-amino-2-carboxyethyl]thio]-5-hydroxy-20-oxo-, inner salt, ion(1-), (5S,6R,7E,9E,11Z,14Z)- [ACD/Index Name]
(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-azaniumyl-2-carboxylatoethyl]sulfanyl}-5-hydroxy-20-oxoicosa-7,9,11,14-tetraenoate
20-oxoleukotriene E4 (1-)
20-oxoleukotriene E4(1-)
20-oxo-LTE4(1-)
  • Miscellaneous

    • Chemical Class:

      A leukotriene anion that is the conjugate base of leukotriene E4 obtained by deprotonation of the two carboxy groups and protonation of the cysteinyl alpha-amino ; group; major species at pH 7.3. ChEBI CHEBI:133433
      A leukotriene anion that is the conjugate base of leukotriene E4 obtained by deprotonation of the two carboxy groups and protonation of the cysteinyl alpha-amino group; major species at pH 7.3. ChEBI CHEBI:133433

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

Density:
Boiling Point: 714.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.4±6.0 kJ/mol
Flash Point: 386.1±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 1
ACD/LogP: 3.74
ACD/LogD (pH 5.5): -0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 171 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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