ChemSpider 2D Image | 3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaen-1-yl]-4,5-dihydroxybenzoate | C37H53O4

3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaen-1-yl]-4,5-dihydroxybenzoate

  • Molecular FormulaC37H53O4
  • Average mass561.815 Da
  • Monoisotopic mass561.394958 Da
  • ChemSpider ID26331140

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaen-1-yl]-4,5-dihydroxybenzoat [German] [ACD/IUPAC Name]
3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaen-1-yl]-4,5-dihydroxybenzoate [ACD/IUPAC Name]
3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-Hexaméthyl-2,6,10,14,18,22-tétracosahexaén-1-yl]-4,5-dihydroxybenzoate [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaen-1-yl]-4,5-dihydroxy-, ion(1-) [ACD/Index Name]
3-(3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4,5-dihydroxy-benzoic acid
3,4-dihydroxy-5-all-trans-hexaprenylbenzoate
3,4-dihydroxy-5-all-trans-hexaprenylbenzoate
3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-4,5-dihydroxybenzoate
3-all-trans-hexaprenyl-4,5-dihydroxybenzoate
3-Hexaprenyl-4,5-dihydroxybenzoate
More...
  • Miscellaneous

    • Chemical Class:

      A 3,4-dihydroxy-5-polyprenylbenzoate in which the polyprenyl chain contains 6 prenyl units; major species at pH 7.3. ChEBI CHEBI:58373

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

Density:
Boiling Point: 701.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 392.2±29.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 13.42
ACD/LogD (pH 5.5): 10.27
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2399307.75
ACD/LogD (pH 7.4): 8.68
ACD/BCF (pH 7.4): 481178.06
ACD/KOC (pH 7.4): 62376.99
Polar Surface Area: 81 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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