ChemSpider 2D Image | CAY10632 | C32H52O2

CAY10632

  • Molecular FormulaC32H52O2
  • Average mass468.754 Da
  • Monoisotopic mass468.396729 Da
  • ChemSpider ID29341686

  • Double-bond stereo - Double-bond stereo

More details:

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

(14Z,17Z,20Z,23Z,26Z,29Z)-14,17,20,23,26,29-Dotriacontahexaenoic acid [ACD/IUPAC Name]
(14Z,17Z,20Z,23Z,26Z,29Z)-14,17,20,23,26,29-Dotriacontahexaensäure [German] [ACD/IUPAC Name]
(14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoic acid
105517-82-6 [RN]
14,17,20,23,26,29-Dotriacontahexaenoic acid, (14Z,17Z,20Z,23Z,26Z,29Z)- [ACD/Index Name]
Acide (14Z,17Z,20Z,23Z,26Z,29Z)-14,17,20,23,26,29-dotriacontahexaénoïque [French] [ACD/IUPAC Name]
CAY10632
(14Z,17Z,20Z,23Z,26Z,29Z)-dotriaconta-14,17,20,23,26,29-hexaenoic acid
14Z,17Z,20Z,23Z,26Z,29Z-dotriacontahexaenoic acid
32:6(14Z,17Z,20Z,23Z,26Z,29Z)
More...
  • Miscellaneous

    • Chemical Class:

      A very long-chain <locant>omega</locant><minus/>3 fatty acid that is dotriacontapentaenoic acid having six double bonds located at positions 14, 17, 20, 23, 26 and 29 (the 14<stereo>Z</stereo>,17<ster eo>Z</stereo>,20<stereo>Z</stereo>,23<stereo>Z</stereo>,26<stereo>Z</stereo>,29<stereo>Z</stereo>-isomer). ChEBI CHEBI:77403
      A very long-chain omega-3 fatty acid that is dotriacontapentaenoic acid having six double bonds located at positions 14, 17, 20, 23, 26 and 29 (the 14Z,17Z,20Z,23Z,26Z,29Z-isomer). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:77403, CHEBI:77403

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

Density: 0.9±0.1 g/cm3
Boiling Point: 582.8±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 95.2±6.0 kJ/mol
Flash Point: 479.0±16.6 °C
Index of Refraction: 1.505
Molar Refractivity: 152.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 1
ACD/LogP: 11.90
ACD/LogD (pH 5.5): 8.86
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 686578.13
ACD/LogD (pH 7.4): 7.07
ACD/BCF (pH 7.4): 33253.89
ACD/KOC (pH 7.4): 11014.37
Polar Surface Area: 37 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 513.1±3.0 cm3

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