ChemSpider 2D Image | Maresin 1 | C22H32O4

Maresin 1

  • Molecular FormulaC22H32O4
  • Average mass360.487 Da
  • Monoisotopic mass360.230072 Da
  • ChemSpider ID29341935

  • 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,7R,8E,10E,12Z,14S,16Z,19Z)-7,14-Dihydroxy-4,8,10,12,16,19-docosahexaenoic acid [ACD/IUPAC Name]
(4Z,7R,8E,10E,12Z,14S,16Z,19Z)-7,14-Dihydroxy-4,8,10,12,16,19-docosahexaensäure [German] [ACD/IUPAC Name]
1268720-28-0 [RN]
4,8,10,12,16,19-Docosahexaenoic acid, 7,14-dihydroxy-, (4Z,7R,8E,10E,12Z,14S,16Z,19Z)- [ACD/Index Name]
7(R)-Maresin 1
Acide (4Z,7R,8E,10E,12Z,14S,16Z,19Z)-7,14-dihydroxy-4,8,10,12,16,19-docosahexaénoïque [French] [ACD/IUPAC Name]
Maresin 1
(4Z,7R,8E,10E,12Z,14S,16Z,19Z)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid
(4Z,7R,8E,10E,12Z,14S,16Z,19Z)-7,14-dihydroxydocosahexaenoic acid
(7R,14S)-dihydroxy-(4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid
More...
  • Miscellaneous

    • Chemical Class:

      A dihydroxydocosahexaenoic acid that is (4<stereo>Z</stereo>,8<stereo>E</stereo>,10<stereo>E</stereo>,12<stereo>Z</stereo>,16<stereo>Z</stereo>,19<stereo>Z</stereo>)-docosahexaenoic acid in which the two hydroxy substituents are located at the 7<stereo>R</stereo>- and 14<stereo>S</stereo>-positions. ChEBI CHEBI:138249
      A dihydroxydocosahexaenoic acid that is (4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid in which the ; two hydroxy substituents are located at the 7R- and 14S-positions. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:138249
      A dihydroxydocosahexaenoic acid that is (4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at the 7R- and 14S-positions. ChEBI CHEBI:138249

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

Density: 1.0±0.1 g/cm3
Boiling Point: 559.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.7±6.0 kJ/mol
Flash Point: 306.2±26.6 °C
Index of Refraction: 1.546
Molar Refractivity: 108.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 32.24
ACD/KOC (pH 5.5): 220.76
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.47
Polar Surface Area: 78 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 343.8±3.0 cm3

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