ChemSpider 2D Image | (4Z,7R,8E,10Z,12E,14E,16R,17R,19Z)-7,16,17-Trihydroxy-4,8,10,12,14,19-docosahexaenoic acid | C22H32O5

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

  • Molecular FormulaC22H32O5
  • Average mass376.487 Da
  • Monoisotopic mass376.224976 Da
  • ChemSpider ID64808328

  • 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,7R,8E,10Z,12E,14E,16R,17R,19Z)-7,16,17-Trihydroxy-4,8,10,12,14,19-docosahexaenoic acid [ACD/IUPAC Name]
(4Z,7R,8E,10Z,12E,14E,16R,17R,19Z)-7,16,17-Trihydroxy-4,8,10,12,14,19-docosahexaensäure [German] [ACD/IUPAC Name]
4,8,10,12,14,19-Docosahexaenoic acid, 7,16,17-trihydroxy-, (4Z,7R,8E,10Z,12E,14E,16R,17R,19Z)- [ACD/Index Name]
Acide (4Z,7R,8E,10Z,12E,14E,16R,17R,19Z)-7,16,17-trihydroxy-4,8,10,12,14,19-docosahexaénoïque [French] [ACD/IUPAC Name]
(4Z,7R,8E,10Z,12E,14E,16R,17R,19Z)-7,16,17-trihydroxydocosa-4,8,10,12,14,19-hexaenoic acid
(4Z,7R,8E,10Z,12E,14E,16R,17R,19Z)-7,16,17-trihydroxydocosahexaenoic acid
17-epi-resolvin D2
17-epi-RvD2
7S,16R,17R-trihydroxy-4Z,8E,10Z,12E,14E,19Z-docosahexaenoic acid
aspirin-triggered resolvin D2
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  • Miscellaneous

    • Chemical Class:

      A member of the class of resolvins that is (4<stereo>Z</stereo>,8<stereo>E</stereo>,10<stereo>Z</stereo>,12<stereo>E</stereo>,14<stereo>E</stereo>,19<stereo>Z</stereo>)-docosahexaenoic acid carrying t hree hydroxy substituents at positions 7, 16 and 17 (the 7<stereo>S</stereo>,16<stereo>R</stereo>,17<stereo>R</stereo>-stereoisomer). ChEBI CHEBI:138614
      A member of the class of resolvins that is (4Z,8E,10Z,12E,14E,19Z)-docosahexaenoic acid carrying t; hree hydroxy substituents at positions 7, 16 and 17 (the 7S,16R,17R-stereoisomer). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:138614
      A member of the class of resolvins that is (4Z,8E,10Z,12E,14E,19Z)-docosahexaenoic acid carrying three hydroxy substituents at positions 7, 16 and 17 (the 7S,16R,17R-stereoisomer). ChEBI CHEBI:138614

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

Density: 1.1±0.1 g/cm3
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: 1.559
Molar Refractivity: 110.4±0.3 cm3
#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: 98 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 341.6±3.0 cm3

Click to predict properties on the Chemicalize site


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