Found 1 result

Search term: WPLPEZUSILBTGP-LTNYKQEOSA-M (Found by InChIKey (full match))
ChemSpider 2D Image | (5Z,9E,12R,14Z)-8,11,12-Trihydroxy-5,9,14-icosatrienoate | C20H33O5

(5Z,9E,12R,14Z)-8,11,12-Trihydroxy-5,9,14-icosatrienoate

  • Molecular FormulaC20H33O5
  • Average mass353.474 Da
  • Monoisotopic mass353.233337 Da
  • ChemSpider ID26330791

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(5Z,9E,12R,14Z)-8,11,12-Trihydroxy-5,9,14-icosatrienoat [German] [ACD/IUPAC Name]
(5Z,9E,12R,14Z)-8,11,12-Trihydroxy-5,9,14-icosatrienoate [ACD/IUPAC Name]
(5Z,9E,12R,14Z)-8,11,12-Trihydroxy-5,9,14-icosatriénoate [French] [ACD/IUPAC Name]
5,9,14-Eicosatrienoic acid, 8,11,12-trihydroxy-, ion(1-), (5Z,9E,12R,14Z)- [ACD/Index Name]
(5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoate
(5Z,9E,14Z)-(8ξ,11ξ,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoate
  • Miscellaneous

    • Chemical Class:

      Conjugate base of (5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid arising from deprotonation of the carboxylic acid fun; ction. ChEBI CHEBI:57448
      Conjugate base of (5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid arising from deprotonation of the carboxylic acid function. ChEBI CHEBI:57448

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

Density:
Boiling Point: 564.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.5±6.0 kJ/mol
Flash Point: 309.5±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 9.74
ACD/KOC (pH 5.5): 103.65
ACD/LogD (pH 7.4): 0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.65
Polar Surface Area: 101 Å2
Polarizability:
Surface Tension:
Molar Volume:

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