ChemSpider 2D Image | (18Z,21Z,24Z,27Z,30Z,33Z)-18,21,24,27,30,33-Hexatriacontahexaenoate | C36H59O2

(18Z,21Z,24Z,27Z,30Z,33Z)-18,21,24,27,30,33-Hexatriacontahexaenoate

  • Molecular FormulaC36H59O2
  • Average mass523.853 Da
  • Monoisotopic mass523.452026 Da
  • ChemSpider ID30786223

  • Charge - Charge

    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-Hexatriacontahexaenoat [German] [ACD/IUPAC Name]
(18Z,21Z,24Z,27Z,30Z,33Z)-18,21,24,27,30,33-Hexatriacontahexaenoate [ACD/IUPAC Name]
(18Z,21Z,24Z,27Z,30Z,33Z)-18,21,24,27,30,33-Hexatriacontahexaénoate [French] [ACD/IUPAC Name]
18,21,24,27,30,33-Hexatriacontahexaenoic acid, ion(1-), (18Z,21Z,24Z,27Z,30Z,33Z)- [ACD/Index Name]
(18Z,21Z,24Z,27Z,30Z,33Z)-hexatriaconta-18,21,24,27,30,33-hexaenoate
(18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoate
all-cis-hexatriaconta-18,21,24,27,30,33-hexaenoate
C36:6(ω-3)(1-)
  • Miscellaneous

    • Chemical Class:

      A polyunsaturated fatty acid anion that is the conjugate base of (18Z,21Z,24Z,27Z,30Z,33Z)-hexatri; acontahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:77217
      A polyunsaturated fatty acid anion that is the conjugate base of (18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:77217

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

Density:
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:
Molar Refractivity:
#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: 40 Å2
Polarizability:
Surface Tension:
Molar Volume:

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