ChemSpider 2D Image | 2-[(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetraenoylamino]ethanesulfonate | C22H36NO4S

2-[(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetraenoylamino]ethanesulfonate

  • Molecular FormulaC22H36NO4S
  • Average mass410.591 Da
  • Monoisotopic mass410.237061 Da
  • ChemSpider ID58170236

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

2-[(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetraenoylamino]ethanesulfonate [ACD/IUPAC Name]
2-[(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetraenoylamino]éthanesulfonate [French] [ACD/IUPAC Name]
2-[(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetraenoylamino]ethansulfonat [German] [ACD/IUPAC Name]
Ethanesulfonic acid, 2-[[(5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraen-1-yl]amino]-, ion(1-) [ACD/Index Name]
2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino}ethane-1-sulfonate
N-(5Z,8Z,11Z,14Z)-eicosatetraenoyl-taurine
N-(5Z,8Z,11Z,14Z)-icosatetraenoyltaurine(1-)
N-(5Z,8Z,11Z,14Z)-icosatetraenoyl-taurine(1-)
N-arachidonoyltaurine(1-)
N-arachidonoyl-taurine(1-)
  • Miscellaneous

    • Chemical Class:

      A fatty acid-taurine conjugate obtained by deprotonation of the sulfonate group of N-arachidonoyltaurine; major species at pH 7.3. ChEBI CHEBI:132060

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 0
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability:
Surface Tension:
Molar Volume:

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