ChemSpider 2D Image | 19S(20R)-EpDPA | C22H32O3

19S(20R)-EpDPA

  • Molecular FormulaC22H32O3
  • Average mass344.488 Da
  • Monoisotopic mass344.235138 Da
  • ChemSpider ID29341370

  • 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,7Z,10Z,13Z,16Z)-18-[(2S,3R)-3-Ethyl-2-oxiranyl]-4,7,10,13,16-octadecapentaenoic acid [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z,16Z)-18-[(2S,3R)-3-Ethyl-2-oxiranyl]-4,7,10,13,16-octadecapentaensäure [German] [ACD/IUPAC Name]
19S(20R)-EpDPA
4,7,10,13,16-Octadecapentaenoic acid, 18-[(2S,3R)-3-ethyloxiranyl]-, (4Z,7Z,10Z,13Z,16Z)- [ACD/Index Name]
Acide (4Z,7Z,10Z,13Z,16Z)-18-[(2S,3R)-3-éthyl-2-oxiranyl]-4,7,10,13,16-octadécapentaénoïque [French] [ACD/IUPAC Name]
(?)19(20)-EpDPA
(?)19,20-epoxy-4Z,7Z,10Z,13Z,16Z-docosapentaenoic acid
(±)19(20)-EpDPA
(±)19(20)-epoxy-4Z,7Z,10Z,13Z,16Z-docosapentaenoic acid
(19S,20R)-EpDPE
More...
  • Miscellaneous

    • Chemical Class:

      A (4<stereo>Z</stereo>,7<stereo>Z</stereo>,10<stereo>Z</stereo>,13<stereo>Z</stereo>,16<stereo>Z</stereo>)-19,20-epoxydocosapentaenoic acid with (19<stereo>S</stereo>,20<stereo>R</stereo>)-configurati on. ChEBI CHEBI:137183
      A (4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoic acid with (19S,20R)-configurati; on. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:137183
      A (4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoic acid with (19S,20R)-configuration. ChEBI CHEBI:137183

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

Density: 1.0±0.1 g/cm3
Boiling Point: 466.2±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 79.8±6.0 kJ/mol
Flash Point: 152.3±18.9 °C
Index of Refraction: 1.521
Molar Refractivity: 105.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 687.18
ACD/KOC (pH 5.5): 1982.93
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 10.80
ACD/KOC (pH 7.4): 31.16
Polar Surface Area: 50 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 346.2±3.0 cm3

Click to predict properties on the Chemicalize site


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