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Search term: KUKJHGXXZWHSBG-WBGSEQOASA-M (Found by InChIKey (full match))
ChemSpider 2D Image | (5Z,8E,10E,12S)-12-Hydroxy-5,8,10-heptadecatrienoate | C17H27O3

(5Z,8E,10E,12S)-12-Hydroxy-5,8,10-heptadecatrienoate

  • Molecular FormulaC17H27O3
  • Average mass279.395 Da
  • Monoisotopic mass279.196564 Da
  • ChemSpider ID58164058

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5Z,8E,10E,12S)-12-Hydroxy-5,8,10-heptadecatrienoat [German] [ACD/IUPAC Name]
(5Z,8E,10E,12S)-12-Hydroxy-5,8,10-heptadecatrienoate [ACD/IUPAC Name]
(5Z,8E,10E,12S)-12-Hydroxy-5,8,10-heptadécatriénoate [French] [ACD/IUPAC Name]
5,8,10-Heptadecatrienoic acid, 12-hydroxy-, ion(1-), (5Z,8E,10E,12S)- [ACD/Index Name]
(12S)-hydroxy-(5Z,8E,10E)-heptadecatrienoate
(5Z,8E,10E,12S)-12-hydroxyheptadeca-5,8,10-trienoate
12(S)-HHTrE(1-)
12(S)-hydroxy-(5Z,8E,10E)-heptadecatrienoate
  • Miscellaneous

    • Chemical Class:

      A polyunsaturated fatty acid anion that is the conjugate base of 12(S)-HHTrE, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:90694

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

Density:
Boiling Point: 451.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.0±6.0 kJ/mol
Flash Point: 241.1±25.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 159.02
ACD/KOC (pH 5.5): 765.59
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 2.54
ACD/KOC (pH 7.4): 12.21
Polar Surface Area: 60 Å2
Polarizability:
Surface Tension:
Molar Volume:

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