ChemSpider 2D Image | 14(R),15(S)-DiHETE | C20H32O4

14(R),15(S)-DiHETE

  • Molecular FormulaC20H32O4
  • Average mass336.466 Da
  • Monoisotopic mass336.230072 Da
  • ChemSpider ID58827607

  • 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

(5Z,8Z,10E,12E,14R,15S)-14,15-Dihydroxy-5,8,10,12-icosatetraenoic acid [ACD/IUPAC Name]
(5Z,8Z,10E,12E,14R,15S)-14,15-Dihydroxy-5,8,10,12-icosatetraensäure [German] [ACD/IUPAC Name]
14(R),15(S)-DiHETE
5,8,10,12-Eicosatetraenoic acid, 14,15-dihydroxy-, (5Z,8Z,10E,12E,14R,15S)- [ACD/Index Name]
Acide (5Z,8Z,10E,12E,14R,15S)-14,15-dihydroxy-5,8,10,12-icosatétraénoïque [French] [ACD/IUPAC Name]
(14R,15S)-DiHETE
(14R,15S)-dihydroxy-(5Z,8Z,10E,12E)-eicosatetraenoic acid
(14R,15S)-dihydroxy-(5Z,8Z,10E,12E)-icosatetraenoic acid
(5Z,8Z,10E,12E,14R,15S)-14,15-dihydroxyeicosatetraenoic acid
(5Z,8Z,10E,12E,14R,15S)-14,15-dihydroxyicosa-5,8,10,12-tetraenoic acid
More...
  • Miscellaneous

    • Chemical Class:

      A DiHETE that is (5<stereo>Z</stereo>,8<stereo>Z</stereo>,10<stereo>E</stereo>,12<stereo>E</stereo>)-icosatetraenoic acid carrying two hydroxy substituents at positions 14 and 15 (the 14<stereo>R</ste reo>,15<stereo>S</stereo>-stereoisomer). ChEBI CHEBI:136500
      A DiHETE that is (5Z,8Z,10E,12E)-icosatetraenoic acid carrying two hydroxy substituents at positions 14 and 15 (the 14R,15S-stereoisomer). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:136500, CHEBI:136500

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

Density: 1.0±0.1 g/cm3
Boiling Point: 537.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.7±6.0 kJ/mol
Flash Point: 293.0±26.6 °C
Index of Refraction: 1.527
Molar Refractivity: 99.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 180.60
ACD/KOC (pH 5.5): 838.35
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 2.88
ACD/KOC (pH 7.4): 13.37
Polar Surface Area: 78 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 323.5±3.0 cm3

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