ChemSpider 2D Image | eoxin D4 | C25H40N2O6S

eoxin D4

  • Molecular FormulaC25H40N2O6S
  • Average mass496.660 Da
  • Monoisotopic mass496.260712 Da
  • ChemSpider ID24822074

  • 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

14,15-Leukotriene D4
75290-64-1 [RN]
eoxin D4
Glycine, S-[(1R,2E,4E,6Z,9Z)-13-carboxy-1-[(1S)-1-hydroxyhexyl]-2,4,6,9-tridecatetraen-1-yl]-L-cysteinyl- [ACD/Index Name]
S-[(6S,7R,8E,10E,12Z,15Z)-19-Carboxy-6-hydroxy-8,10,12,15-nonadecatetraen-7-yl]-L-cysteinylglycin [German] [ACD/IUPAC Name]
S-[(6S,7R,8E,10E,12Z,15Z)-19-Carboxy-6-hydroxy-8,10,12,15-nonadecatetraen-7-yl]-L-cysteinylglycine [ACD/IUPAC Name]
S-[(6S,7R,8E,10E,12Z,15Z)-19-Carboxy-6-hydroxy-8,10,12,15-nonadécatétraén-7-yl]-L-cystéinylglycine [French] [ACD/IUPAC Name]
(5Z,8Z,10E,12E,14R,15S)-14-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-15-hydroxyicosa-5,8,10,12-tetraenoic acid
14,15-LTD4
15S-hydroxy,14R-(S-cysteinylglycinyl)-5Z,8Z,10E,12E-eicosatetraenoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CHEBI:63985 [DBID]
  • Miscellaneous

    • Chemical Class:

      A leukotriene that is the 14<stereo>R</stereo>-(<stereo>S</stereo>-cysteinylglycyl),15<stereo>S</stereo>-hydroxy derivative of (5<stereo>Z</stereo>,8<stereo>Z</stereo>,10<stereo>E</stereo>,12<stereo>E </stereo>)-icosa-7,9,11,14-tetraenoic acid. ChEBI CHEBI:63985
      A leukotriene that is the 14R-(S-cysteinylglycyl),15S-hydroxy derivative of (5Z,8Z,10E,12E)-icosa-7,9,11,14-tetraenoic acid. ChEBI CHEBI:63985
      A leukotriene that is the 14R-(S-cysteinylglycyl),15S-hydroxy derivative of (5Z,8Z,10E,12E; )-icosa-7,9,11,14-tetraenoic acid. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:63985

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

Density: 1.2±0.1 g/cm3
Boiling Point: 786.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.4±6.0 kJ/mol
Flash Point: 429.4±32.9 °C
Index of Refraction: 1.558
Molar Refractivity: 137.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.39
ACD/LogD (pH 7.4): -0.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 427.1±3.0 cm3

Click to predict properties on the Chemicalize site


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