ChemSpider 2D Image | (4Z,7Z,10R,11E,13E,15Z,17R,19Z)-10,17-Dihydroxy-4,7,11,13,15,19-docosahexaenoato(2-) | C22H32O4

(4Z,7Z,10R,11E,13E,15Z,17R,19Z)-10,17-Dihydroxy-4,7,11,13,15,19-docosahexaenoato(2-)

  • Molecular FormulaC22H32O4
  • Average mass360.487 Da
  • Monoisotopic mass360.230072 Da
  • ChemSpider ID76963156

  • 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,10R,11E,13E,15Z,17R,19Z)-10,17-Dihydroxy-4,7,11,13,15,19-docosahexaenoato(2-) [ACD/IUPAC Name]
(4Z,7Z,10R,11E,13E,15Z,17R,19Z)-10,17-Dihydroxy-4,7,11,13,15,19-docosahexaensäure [German] [ACD/IUPAC Name]
4,7,11,13,15,19-Docosahexaenoic acid, 10,17-dihydroxy-, (4Z,7Z,10R,11E,13E,15Z,17R,19Z)- [ACD/Index Name]
Acide (4Z,7Z,10R,11E,13E,15Z,17R,19Z)-10,17-dihydroxy-4,7,11,13,15,19-docosahexaénoïque [French] [ACD/IUPAC Name]
(4Z,7Z,10R,11E,13E,15Z,17R,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoic acid
(4Z,7Z,10R,11E,13E,15Z,17R,19Z)-10,17-dihydroxydocosahexaenoic acid
10(R),17(R)-dihydroxydocosa-4Z,7Z,11E,13E,15Z,19Z-hexaenoic acid
1365694-03-6 [RN]
17(R)-Protectin D1
aspirin-triggered neuroprotectin D1
More...
  • Miscellaneous

    • Chemical Class:

      A dihydroxydocosahexaenoic acid that is (4Z,7Z,11E,13E,15Z,19Z)-docosahexaenoic acid in which the ; two hydroxy substituents are located at positions 10 and 17 (the 10R,17R-stereoisomer). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:140202
      A dihydroxydocosahexaenoic acid that is (4Z,7Z,11E,13E,15Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at positions 10 and 17 (the 10R,17R-stereoisomer). ChEBI CHEBI:140202

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): 32.77
ACD/KOC (pH 5.5): 224.41
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.53
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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