ChemSpider 2D Image | 18S-resolvin E1 | C20H30O5

18S-resolvin E1

  • Molecular FormulaC20H30O5
  • Average mass350.449 Da
  • Monoisotopic mass350.209320 Da
  • ChemSpider ID34980715
  • 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

(5S,6Z,8E,10E,12R,14Z,16E,18S)-5,12,18-Trihydroxy-6,8,10,14,16-icosapentaenoic acid [ACD/IUPAC Name]
(5S,6Z,8E,10E,12R,14Z,16E,18S)-5,12,18-Trihydroxy-6,8,10,14,16-icosapentaensäure [German] [ACD/IUPAC Name]
18S-resolvin E1
6,8,10,14,16-Eicosapentaenoic acid, 5,12,18-trihydroxy-, (5S,6Z,8E,10E,12R,14Z,16E,18S)- [ACD/Index Name]
Acide (5S,6Z,8E,10E,12R,14Z,16E,18S)-5,12,18-trihydroxy-6,8,10,14,16-icosapentaénoïque [French] [ACD/IUPAC Name]
(18S)-resolvin E1
(5S,12R,18S)-trihydroxy-(6Z,8E,10E,14Z,16E)-eicosapentaenoic acid
(5S,12R,18S)-trihydroxy-(6Z,8E,10E,14Z,16E)-icosapentaenoic acid
(5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18-trihydroxyicosa-6,8,10,14,16-pentaenoic acid
(5S,6Z,8E,10E,12R,14Z,16E,18S)-5,12,18-trihydroxyicosa-6,8,10,14,16-pentaenoic acid
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  • Miscellaneous
    • Chemical Class:

      A resolvin that is (6<stereo>Z</stereo>,8<stereo>E</stereo>,10<stereo>E</stereo>,14<stereo>Z</stereo>,16<stereo>E</stereo>)-icosa-6,8,10,14,16-pentaenoic acid which is substituted at positions 5, 12 a nd 18 by hydroxy groups (the 5<stereo>S</stereo>,12<stereo>R</stereo>,18<stereo>S</stereo> stereoisomer). ChEBI CHEBI:137038
      A resolvin that is (6Z,8E,10E,14Z,16E)-icosa-6,8,10,14,16-pentaenoic acid which is substituted at positions 5, 12 a; nd 18 by hydroxy groups (the 5S,12R,18S stereoisomer). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:137038

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 591.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.2±6.0 kJ/mol
Flash Point: 325.5±26.6 °C
Index of Refraction: 1.555
Molar Refractivity: 101.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.52
ACD/KOC (pH 5.5): 25.96
ACD/LogD (pH 7.4): -0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 315.0±3.0 cm3

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