ChemSpider 2D Image | (21Z,24Z,27Z,30Z,33Z)-hexatriacontapentaenoic acid | C36H62O2

(21Z,24Z,27Z,30Z,33Z)-hexatriacontapentaenoic acid

  • Molecular FormulaC36H62O2
  • Average mass526.876 Da
  • Monoisotopic mass526.474976 Da
  • ChemSpider ID30786325

  • Double-bond stereo - Double-bond stereo

More details:

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

(21Z,24Z,27Z,30Z,33Z)-21,24,27,30,33-Hexatriacontapentaenoic acid [ACD/IUPAC Name]
(21Z,24Z,27Z,30Z,33Z)-21,24,27,30,33-Hexatriacontapentaensäure [German] [ACD/IUPAC Name]
(21Z,24Z,27Z,30Z,33Z)-hexatriacontapentaenoic acid
21,24,27,30,33-Hexatriacontapentaenoic acid, (21Z,24Z,27Z,30Z,33Z)- [ACD/Index Name]
Acide (21Z,24Z,27Z,30Z,33Z)-21,24,27,30,33-hexatriacontapentaénoïque [French] [ACD/IUPAC Name]
(21Z,24Z,27Z,30Z,33Z)-hexatriaconta-21,24,27,30,33-pentaenoic acid
21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoic acid
36:5(21Z,24Z,27Z,30Z,33Z)
36:5(w3)
36:5(ω3)
More...
  • Miscellaneous

    • Chemical Class:

      A very long-chain <locant>omega</locant><minus/>3 fatty acid that is hexatriacontanoic acid having five double bonds located at positions 21, 24, 27, 30 and 33 (the 21<stereo>Z</stereo>,24<stereo>Z</s tereo>,27<stereo>Z</stereo>,30<stereo>Z</stereo>,33<stereo>Z</stereo>-isomer). ChEBI CHEBI:77499
      A very long-chain omega-3 fatty acid that is hexatriacontanoic acid having five double bonds located at positions 21, 24, 27, 30 and 33 (the 21Z,24Z,27Z,30Z,33Z-isomer). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:77499, CHEBI:77499

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

Density: 0.9±0.1 g/cm3
Boiling Point: 626.4±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 101.2±6.0 kJ/mol
Flash Point: 522.5±18.0 °C
Index of Refraction: 1.495
Molar Refractivity: 170.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 2
ACD/LogP: 14.70
ACD/LogD (pH 5.5): 10.87
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 8438083.00
ACD/LogD (pH 7.4): 9.07
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 135367.98
Polar Surface Area: 37 Å2
Polarizability: 67.7±0.5 10-24cm3
Surface Tension: 34.8±3.0 dyne/cm
Molar Volume: 585.5±3.0 cm3

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