ChemSpider 2D Image | Resolvin D1 | C22H32O5

Resolvin D1

  • Molecular FormulaC22H32O5
  • Average mass376.487 Da
  • Monoisotopic mass376.224976 Da
  • ChemSpider ID24700241
  • 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

(4Z,7S,8R,9E,11E,13Z,15E,17S,19Z)-7,8,17-Trihydroxy-4,9,11,13,15,19-docosahexaenoic acid [ACD/IUPAC Name]
(4Z,7S,8R,9E,11E,13Z,15E,17S,19Z)-7,8,17-Trihydroxy-4,9,11,13,15,19-docosahexaensäure [German] [ACD/IUPAC Name]
4,9,11,13,15,19-Docosahexaenoic acid, 7,8,17-trihydroxy-, (4Z,7S,8R,9E,11E,13Z,15E,17S,19Z)- [ACD/Index Name]
Acide (4Z,7S,8R,9E,11E,13Z,15E,17S,19Z)-7,8,17-trihydroxy-4,9,11,13,15,19-docosahexaénoïque [French] [ACD/IUPAC Name]
Resolvin D1
(4Z,7S,8R,9E,11E,13Z,15E,17S,19Z)-7,8,17-trihydroxydocosa-4,9,11,13,15,19-hexaenoic acid
(4Z,7S,9E,11E,13Z,15E,17S,19Z)-7,8,17-trihydroxydocosa-4,9,11,13,15,19-hexaenoic acid
[872993-05-0]
7S,8,17S-Trihydroxy-docosa-4Z,9E,11E,13Z,15E,19Z-hexaenoate
7S,8,17S-Trihydroxy-docosa-4Z,9E,11E,13Z,15E,19Z-hexaenoic acid
More...
  • Miscellaneous
    • Chemical Class:

      A resolvin that is docosa-4<stereo>Z</stereo>,9<stereo>E</stereo>,11<stereo>E</stereo>,13<stereo>Z</stereo>,15<stereo>E</stereo>,19<stereo>Z</stereo>-hexaenoic acid which is substituted by hydroxy gro ups at the 7, 8, and 17 positions (the 7<stereo>S</stereo>,8<stereo>R</stereo>,17<stereo>S</stereo>-stereoisomer). ChEBI CHEBI:81564

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

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: 2.70
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 5.50
ACD/KOC (pH 5.5): 62.25
ACD/LogD (pH 7.4): -0.22
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

Click to predict properties on the Chemicalize site






Advertisement