ChemSpider 2D Image | (5S,6R,7E,9E,11Z,14Z)-5,6-Dihydroxy-7,9,11,14-icosatetraenoate | C20H31O4

(5S,6R,7E,9E,11Z,14Z)-5,6-Dihydroxy-7,9,11,14-icosatetraenoate

  • Molecular FormulaC20H31O4
  • Average mass335.458 Da
  • Monoisotopic mass335.222778 Da
  • ChemSpider ID76962999

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S,6R,7E,9E,11Z,14Z)-5,6-Dihydroxy-7,9,11,14-icosatetraenoat [German] [ACD/IUPAC Name]
(5S,6R,7E,9E,11Z,14Z)-5,6-Dihydroxy-7,9,11,14-icosatetraenoate [ACD/IUPAC Name]
(5S,6R,7E,9E,11Z,14Z)-5,6-Dihydroxy-7,9,11,14-icosatétraénoate [French] [ACD/IUPAC Name]
7,9,11,14-Eicosatetraenoato, 5,6-dihydroxy-, ion(1-), (5S,6R,7E,9E,11Z,14Z)- [ACD/Index Name]
(5S,6R)-DiHETE(1-)
(5S,6R)-dihydroxy-(7E,9E,11Z,14Z)-eicosatetraenoate
(5S,6R,7E,9E,11Z,14Z)-5,6-dihydroxyeicosatetraenoate
(5S,6R,7E,9E,11Z,14Z)-5,6-dihydroxyicosa-7,9,11,14-tetraenoate
(5S,6R,7E,9E,11Z,14Z)-5,6-dihydroxyicosatetraenoate
5(S),6(R)-diHETE(1-)
  • Miscellaneous

    • Chemical Class:

      A dihydroxyicosatetraenoate that is the conjugate base of (5S,6R)-dihydroxy-(7E,9E,11Z,14Z)-icosat; etraenoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:137542
      A dihydroxyicosatetraenoate that is the conjugate base of (5S,6R)-dihydroxy-(7E,9E,11Z,14Z)-icosatetraenoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3. ChEBI CHEBI:137542

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

Density:
Boiling Point: 537.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.7±6.0 kJ/mol
Flash Point: 293.0±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 146.62
ACD/KOC (pH 5.5): 686.04
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 2.31
ACD/KOC (pH 7.4): 10.82
Polar Surface Area: 81 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement