ChemSpider 2D Image | (13R)-hydroxy-(14S,15S)-epoxyicosa-(5Z,8Z,11Z)-trienoic acid | C20H32O4

(13R)-hydroxy-(14S,15S)-epoxyicosa-(5Z,8Z,11Z)-trienoic acid

  • Molecular FormulaC20H32O4
  • Average mass336.466 Da
  • Monoisotopic mass336.230072 Da
  • ChemSpider ID29368583

  • 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

(13R)-hydroxy-(14S,15S)-epoxyicosa-(5Z,8Z,11Z)-trienoic acid
(5Z,8Z,11Z,13R)-13-Hydroxy-13-[(2S,3S)-3-pentyl-2-oxiranyl]-5,8,11-tridecatrienoic acid [ACD/IUPAC Name]
(5Z,8Z,11Z,13R)-13-Hydroxy-13-[(2S,3S)-3-pentyl-2-oxiranyl]-5,8,11-tridecatriensäure [German] [ACD/IUPAC Name]
5,8,11-Tridecatrienoic acid, 13-hydroxy-13-[(2S,3S)-3-pentyloxiranyl]-, (5Z,8Z,11Z,13R)- [ACD/Index Name]
Acide (5Z,8Z,11Z,13R)-13-hydroxy-13-[(2S,3S)-3-pentyl-2-oxiranyl]-5,8,11-tridécatriénoïque [French] [ACD/IUPAC Name]
(13R)-hydroxy-(14S,15S)-epoxyeicosa-(5Z,8Z,11Z)-trienoic acid
(5Z,8Z,11Z,13R)-13-hydroxy-13-[(2S,3S)-3-pentyloxiran-2-yl]trideca-5,8,11-trienoic acid
13R-hydroxy-14S,15S-epoxy-5Z,8Z,11Z-eicosatrienoic acid
14,15-Hepoxilin B3 (13R)
14,15-HxB3 (13R)
  • Miscellaneous

    • Chemical Class:

      An epoxy(hydroxy)icosatrienoic acid consisting of (5<stereo>Z</stereo>,8<stereo>Z</stereo>,11<stereo>Z</stereo>)-icosa-5,9,14-trienoic acid having additional (13<stereo>R</stereo>)-hydroxy- and (14<st ereo>S</stereo>,15<stereo>S</stereo>)-epoxy groups. ChEBI CHEBI:75700
      An epoxy(hydroxy)icosatrienoic acid consisting of (5Z,8Z,11Z)-icosa-5,9,14-trienoic acid having additional (13R)-hydroxy- and (14S,15S)-epoxy groups. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:75700, CHEBI:75700

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

Density: 1.0±0.1 g/cm3
Boiling Point: 503.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.9±6.0 kJ/mol
Flash Point: 170.7±23.6 °C
Index of Refraction: 1.519
Molar Refractivity: 97.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 567.51
ACD/KOC (pH 5.5): 1905.85
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 9.06
ACD/KOC (pH 7.4): 30.42
Polar Surface Area: 70 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 321.5±3.0 cm3

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