ChemSpider 2D Image | Eoxin E4 | C23H37NO5S

Eoxin E4

  • Molecular FormulaC23H37NO5S
  • Average mass439.609 Da
  • Monoisotopic mass439.239258 Da
  • ChemSpider ID27471349
  • 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,8Z,10E,12E,14R,15S)-14-{[(2R)-2-Amino-2-carboxyethyl]sulfanyl}-15-hydroxy-5,8,10,12-icosatetraenoic acid [ACD/IUPAC Name]
(5Z,8Z,10E,12E,14R,15S)-14-{[(2R)-2-Amino-2-carboxyethyl]sulfanyl}-15-hydroxy-5,8,10,12-icosatetraensäure [German] [ACD/IUPAC Name]
14,15-Leukotriene E4
5,8,10,12-Eicosatetraenoic acid, 14-[[(2R)-2-amino-2-carboxyethyl]thio]-15-hydroxy-, (5Z,8Z,10E,12E,14R,15S)- [ACD/Index Name]
Acide (5Z,8Z,10E,12E,14R,15S)-14-{[(2R)-2-amino-2-carboxyéthyl]sulfanyl}-15-hydroxy-5,8,10,12-icosatétraénoïque [French] [ACD/IUPAC Name]
Eoxin E4 [Wiki]
(5Z,8Z,10E,12E,14R,15S)-14-[(2R)-2-amino-2-carboxyethyl]sulfanyl-15-hydroxyicosa-5,8,10,12-tetraenoic acid
(5Z,8Z,10E,12E,14R,15S)-14-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-15-hydroxyicosa-5,8,10,12-tetraenoic acid
(5Z,8Z,10E,12E,14R,15S)-14-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-15-hydroxyicosa-5,8,10,12-tetraenoic acid; S-[(6S,7R,8E,10E,12Z,15Z)-19-carboxy-6-hydroxynonadeca-8,10,12,15-tetraen-7-yl]-L-cysteine

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CHEBI:63986 [DBID]
  • Miscellaneous
    • Chemical Class:

      A leukotriene that is the 14<stereo>R</stereo>-(<stereo>S</stereo>-cysteinyl),15<stereo>S</stereo>-hydroxy derivative of (5<stereo>Z</stereo>,8<stereo>Z</stereo>,10<stereo>E</stereo>,12<stereo>E</ster eo>)-icosa-7,9,11,14-tetraenoic acid. ChEBI CHEBI:63986

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

Density: 1.1±0.1 g/cm3
Boiling Point: 675.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.4±6.0 kJ/mol
Flash Point: 362.1±31.5 °C
Index of Refraction: 1.557
Molar Refractivity: 124.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 1.53
ACD/KOC (pH 5.5): 6.09
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.44
Polar Surface Area: 146 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 388.2±3.0 cm3

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