ChemSpider 2D Image | (8R)-hydroxy-(11S,12S)-epoxyicosa-(5Z,9E,14Z)-trienoic acid | C20H32O4

(8R)-hydroxy-(11S,12S)-epoxyicosa-(5Z,9E,14Z)-trienoic acid

  • Molecular FormulaC20H32O4
  • Average mass336.466 Da
  • Monoisotopic mass336.230072 Da
  • ChemSpider ID29368582

  • 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

(5Z,8R,9E)-8-Hydroxy-10-{(2S,3S)-3-[(2Z)-2-octen-1-yl]-2-oxiranyl}-5,9-decadienoic acid [ACD/IUPAC Name]
(5Z,8R,9E)-8-Hydroxy-10-{(2S,3S)-3-[(2Z)-2-octen-1-yl]-2-oxiranyl}-5,9-decadiensäure [German] [ACD/IUPAC Name]
(8R)-hydroxy-(11S,12S)-epoxyicosa-(5Z,9E,14Z)-trienoic acid
5,9-Decadienoic acid, 8-hydroxy-10-[(2S,3S)-3-[(2Z)-2-octen-1-yl]oxiranyl]-, (5Z,8R,9E)- [ACD/Index Name]
Acide (5Z,8R,9E)-8-hydroxy-10-{(2S,3S)-3-[(2Z)-2-octén-1-yl]-2-oxiranyl}-5,9-décadiénoïque [French] [ACD/IUPAC Name]
(5Z,8R,9E)-8-hydroxy-10-{(2S,3S)-3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl}deca-5,9-dienoic acid
(8R)-hydroxy-(11S,12S)-epoxyeicosa-(5Z,9E,14Z)-trienoic acid
  • Miscellaneous

    • Chemical Class:

      An epoxy(hydroxy)icosatrienoic acid consisting of (5<stereo>Z</stereo>,9<stereo>E</stereo>,14<stereo>Z</stereo>)-icosa-5,9,14-trienoic acid having additional (8<stereo>R</stereo>)-hydroxy- and (11<ste reo>S</stereo>,12<stereo>S</stereo>)-epoxy groups. ChEBI CHEBI:75692
      An epoxy(hydroxy)icosatrienoic acid consisting of (5Z,9E,14Z)-icosa-5,9,14-trienoic acid having additional (8R)-hydroxy- and (11S,12S)-epoxy groups. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:75692, CHEBI:75692

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

Density: 1.1±0.1 g/cm3
Boiling Point: 483.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.2±6.0 kJ/mol
Flash Point: 162.4±22.2 °C
Index of Refraction: 1.549
Molar Refractivity: 99.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 61.93
ACD/KOC (pH 5.5): 389.76
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.22
Polar Surface Area: 70 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 312.1±3.0 cm3

Click to predict properties on the Chemicalize site


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