ChemSpider 2D Image | (4Z,7S,8E,10Z,13Z,15E,17S,19Z)-7,17-Dihydroxy-4,8,10,13,15,19-docosahexaenoate | C22H31O4

(4Z,7S,8E,10Z,13Z,15E,17S,19Z)-7,17-Dihydroxy-4,8,10,13,15,19-docosahexaenoate

  • Molecular FormulaC22H31O4
  • Average mass359.480 Da
  • Monoisotopic mass359.222778 Da
  • ChemSpider ID128919768

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4Z,7S,8E,10Z,13Z,15E,17S,19Z)-7,17-Dihydroxy-4,8,10,13,15,19-docosahexaenoat [German] [ACD/IUPAC Name]
(4Z,7S,8E,10Z,13Z,15E,17S,19Z)-7,17-Dihydroxy-4,8,10,13,15,19-docosahexaenoate [ACD/IUPAC Name]
(4Z,7S,8E,10Z,13Z,15E,17S,19Z)-7,17-Dihydroxy-4,8,10,13,15,19-docosahexaénoate [French] [ACD/IUPAC Name]
4,8,10,13,15,19-Docosahexaenoic acid, 7,17-dihydroxy-, ion(1-), (4Z,7S,8E,10Z,13Z,15E,17S,19Z)- [ACD/Index Name]
(4Z,7S,8E,10Z,13Z,15E,17S,19Z)-7,17-dihydroxydocosa-4,8,10,13,15,19-hexaenoate
(4Z,7S,8E,10Z,13Z,15E,17S,19Z)-7,17-dihydroxydocosahexaenoate
(7S,17S)-dihydroxy-(4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoate
7S,17S-diHDHA(1-)
7S,17S-dihydroxy-22:6n-3(1-)
resolvin D5(1-)
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  • Miscellaneous

    • Chemical Class:

      A dihydroxydocosahexaenoate that is the conjugate base of resolvin D5, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:140352

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

Density:
Boiling Point: 559.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.7±6.0 kJ/mol
Flash Point: 306.2±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 33.43
ACD/KOC (pH 5.5): 226.64
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.56
Polar Surface Area: 81 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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