ChemSpider 2D Image | (4Z,7S,8E,10Z,12E,14E,16R,17S,19Z)-7,16,17-Trihydroxy-4,8,10,12,14,19-docosahexaenoate | C22H31O5

(4Z,7S,8E,10Z,12E,14E,16R,17S,19Z)-7,16,17-Trihydroxy-4,8,10,12,14,19-docosahexaenoate

  • Molecular FormulaC22H31O5
  • Average mass375.479 Da
  • Monoisotopic mass375.217712 Da
  • ChemSpider ID58170383

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4Z,7S,8E,10Z,12E,14E,16R,17S,19Z)-7,16,17-Trihydroxy-4,8,10,12,14,19-docosahexaenoat [German] [ACD/IUPAC Name]
(4Z,7S,8E,10Z,12E,14E,16R,17S,19Z)-7,16,17-Trihydroxy-4,8,10,12,14,19-docosahexaenoate [ACD/IUPAC Name]
(4Z,7S,8E,10Z,12E,14E,16R,17S,19Z)-7,16,17-Trihydroxy-4,8,10,12,14,19-docosahexaénoate [French] [ACD/IUPAC Name]
4,8,10,12,14,19-Docosahexaenoic acid, 7,16,17-trihydroxy-, ion(1-), (4Z,7S,8E,10Z,12E,14E,16R,17S,19Z)- [ACD/Index Name]
(4Z,7S,8E,10Z,12E,14E,16R,17S,19Z)-7,16,17-trihydroxydocosa-4,8,10,12,14,19-hexaenoate
(7S,16R,17S)-trihydroxy-(4Z,8E,10Z,12E,14E,19Z)-docosahexaenoate
(7S,16R,17S)-trihydroxy-(4Z,8E,10Z,12E,14E,19Z)-docosahexaenoate(1-)
Resolvin D2
resolvin D2(1-)
  • Miscellaneous

    • Chemical Class:

      A polyunsaturated fatty acid anion that is the conjugate base of resolvin D2, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:133367

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

Density:
Boiling Point: 609.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 103.8±6.0 kJ/mol
Flash Point: 336.3±28.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 5.50
ACD/KOC (pH 5.5): 62.28
ACD/LogD (pH 7.4): -0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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