ChemSpider 2D Image | (16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoic acid | C34H56O2

(16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoic acid

  • Molecular FormulaC34H56O2
  • Average mass496.807 Da
  • Monoisotopic mass496.428040 Da
  • ChemSpider ID29341694

  • Double-bond stereo - Double-bond stereo

More details:

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

(16Z,19Z,22Z,25Z,28Z,31Z)-16,19,22,25,28,31-Tetratriacontahexaenoic acid [ACD/IUPAC Name]
(16Z,19Z,22Z,25Z,28Z,31Z)-16,19,22,25,28,31-Tetratriacontahexaensäure [German] [ACD/IUPAC Name]
(16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoic acid
105528-06-1 [RN]
16,19,22,25,28,31-Tetratriacontahexaenoic acid, (16Z,19Z,22Z,25Z,28Z,31Z)- [ACD/Index Name]
Acide (16Z,19Z,22Z,25Z,28Z,31Z)-16,19,22,25,28,31-tétratriacontahexaénoïque [French] [ACD/IUPAC Name]
(16Z,19Z,22Z,25Z,28Z,31Z)-tetratriaconta-16,19,22,25,28,31-hexaenoic acid
16Z,19Z,22Z,25Z,28Z,31Z-tetratriacontahexaenoic acid
34:6(16Z,19Z,22Z,25Z,28Z,31Z)
34:6(w3): 34:6n3
More...
  • Miscellaneous

    • Chemical Class:

      A very long-chain <locant>omega</locant><minus/>3 fatty acid that is tetratriacontahexaenoic acid having six double bonds located at positions 16, 19, 22, 25 ,28 and 31 (the 16<stereo>Z</stereo>,19<st ereo>Z</stereo>,22<stereo>Z</stereo>,25<stereo>Z</stereo>,28<stereo>Z</stereo>,31<stereo>Z</stereo>-isomer). ChEBI CHEBI:77497
      An omega-3 fatty acid that is tetratriacontahexaenoic acid having six double bonds located at positions 16, 19, 22, 25 ,28 and 31 (the 16Z,19Z,22Z,25Z,28Z,31Z-isomer). ChEBI CHEBI:77497
      An omega-3 fatty acid that is tetratriacontahexaenoic acid having six double bonds located at positions 16, 19, 22, 25 ,28 and 31 (the 16Z,19Z; ,22Z,25Z,28Z,31Z-isomer). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:77497

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

Density: 0.9±0.1 g/cm3
Boiling Point: 604.5±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 98.2±6.0 kJ/mol
Flash Point: 500.7±18.0 °C
Index of Refraction: 1.503
Molar Refractivity: 161.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 1
ACD/LogP: 12.96
ACD/LogD (pH 5.5): 9.64
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1814978.75
ACD/LogD (pH 7.4): 7.85
ACD/BCF (pH 7.4): 129315.75
ACD/KOC (pH 7.4): 29116.81
Polar Surface Area: 37 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 546.1±3.0 cm3

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