ChemSpider 2D Image | (18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoic acid | C36H60O2

(18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoic acid

  • Molecular FormulaC36H60O2
  • Average mass524.860 Da
  • Monoisotopic mass524.459351 Da
  • ChemSpider ID30786326

  • Double-bond stereo - Double-bond stereo

More details:

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

(18Z,21Z,24Z,27Z,30Z,33Z)-18,21,24,27,30,33-Hexatriacontahexaenoic acid [ACD/IUPAC Name]
(18Z,21Z,24Z,27Z,30Z,33Z)-18,21,24,27,30,33-Hexatriacontahexaensäure [German] [ACD/IUPAC Name]
(18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoic acid
18,21,24,27,30,33-Hexatriacontahexaenoic acid, (18Z,21Z,24Z,27Z,30Z,33Z)- [ACD/Index Name]
Acide (18Z,21Z,24Z,27Z,30Z,33Z)-18,21,24,27,30,33-hexatriacontahexaénoïque [French] [ACD/IUPAC Name]
(18Z,21Z,24Z,27Z,30Z,33Z)-hexatriaconta-18,21,24,27,30,33-hexaenoic acid
18Z,21Z,24Z,27Z,30Z,33Z-hexatriacontahexaenoic acid
36:6(18Z,21Z,24Z,27Z,30Z,33Z)
36:6(w3)
36:6(ω3)
More...
  • Miscellaneous

    • Chemical Class:

      A very long-chain <locant>omega</locant><minus/>3 fatty acid that is hexatriacontanoic acid having six double bonds located at positions 18, 21, 24, 27, 30 and 33 (the 18<stereo>Z</stereo>,21<stereo>Z </stereo>,24<stereo>Z</stereo>,27<stereo>Z</stereo>,30<stereo>Z</stereo>,33<stereo>Z</stereo>-isomer). ChEBI CHEBI:77500
      A very long-chain omega-3 fatty acid that is hexatriacontanoic acid having six double bonds located at positions 18, 21, 24, 27, 30 and 33 (the 18Z,21Z; ,24Z,27Z,30Z,33Z-isomer). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:77500

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

Density: 0.9±0.1 g/cm3
Boiling Point: 625.8±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 101.1±6.0 kJ/mol
Flash Point: 521.8±18.0 °C
Index of Refraction: 1.501
Molar Refractivity: 170.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 2
ACD/LogP: 14.02
ACD/LogD (pH 5.5): 10.47
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5104015.50
ACD/LogD (pH 7.4): 8.67
ACD/BCF (pH 7.4): 548259.94
ACD/KOC (pH 7.4): 81881.20
Polar Surface Area: 37 Å2
Polarizability: 67.7±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 579.1±3.0 cm3

Click to predict properties on the Chemicalize site


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