ChemSpider 2D Image | Resolvin D3 | C22H32O5

Resolvin D3

  • Molecular FormulaC22H32O5
  • Average mass376.487 Da
  • Monoisotopic mass376.224976 Da
  • ChemSpider ID35519236

  • 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

(4S,5Z,7E,9E,11R,13Z,15E,17S,19Z)-4,11,17-Trihydroxy-5,7,9,13,15,19-docosahexaenoic acid [ACD/IUPAC Name]
(4S,5Z,7E,9E,11R,13Z,15E,17S,19Z)-4,11,17-Trihydroxy-5,7,9,13,15,19-docosahexaensäure [German] [ACD/IUPAC Name]
5,7,9,13,15,19-Docosahexaenoic acid, 4,11,17-trihydroxy-, (4S,5Z,7E,9E,11R,13Z,15E,17S,19Z)- [ACD/Index Name]
916888-47-6 [RN]
Acide (4S,5Z,7E,9E,11R,13Z,15E,17S,19Z)-4,11,17-trihydroxy-5,7,9,13,15,19-docosahexaénoïque [French] [ACD/IUPAC Name]
Resolvin D3
(4S,5Z,7E,9E,11R,13Z,15E,17S,19Z)-4,11,17-trihydroxydocosa-5,7,9,13,15,19-hexaenoic acid
(4S,5Z,7E,9E,11R,13Z,15E,17S,19Z)-4,11,17-trihydroxydocosahexaenoic acid
4S,11R,17S-trihydroxy-5Z,7E,9E,13Z,15E,19Z-docosahexaenoic acid
Resolvin D3-d5
  • Miscellaneous

    • Chemical Class:

      A member of the class of resolvins that is (5<stereo>Z</stereo>,7<stereo>E</stereo>,9<stereo>E</stereo>,13<stereo>Z</stereo>,15<stereo>E</stereo>,19<stereo>Z</stereo>)-docosahexaenoic acid carrying th ree hydroxy substituents at positions 4, 11 and 17 (the 4<stereo>S</stereo>,11<stereo>R</stereo>,17<stereo>S</stereo>-stereoisomer). ChEBI CHEBI:138648
      A member of the class of resolvins that is (5Z,7E,9E,13Z,15E,19Z)-docosahexaenoic acid carrying th; ree hydroxy substituents at positions 4, 11 and 17 (the 4S,11R,17S-stereoisomer). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:138648
      A member of the class of resolvins that is (5Z,7E,9E,13Z,15E,19Z)-docosahexaenoic acid carrying three hydroxy substituents at positions 4, 11 and 17 (the 4S,11R,17S-stereoisomer). ChEBI CHEBI:138648

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: 2.49
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 3.21
ACD/KOC (pH 5.5): 41.47
ACD/LogD (pH 7.4): -0.51
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

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