ChemSpider 2D Image | eoxin C4 | C30H47N3O9S

eoxin C4

  • Molecular FormulaC30H47N3O9S
  • Average mass625.774 Da
  • Monoisotopic mass625.303284 Da
  • ChemSpider ID24822073
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

eoxin C4 [Wiki]
Glycine, L-γ-glutamyl-S-[(1R,2E,4E,6Z,9Z)-13-carboxy-1-[(1S)-1-hydroxyhexyl]-2,4,6,9-tridecatetraen-1-yl]-L-cysteinyl- [ACD/Index Name]
L-γ-Glutamyl-S-[(6S,7R,8E,10E,12Z,15Z)-19-carboxy-6-hydroxy-8,10,12,15-nonadecatetraen-7-yl]-L-cysteinylglycin [German] [ACD/IUPAC Name]
L-γ-Glutamyl-S-[(6S,7R,8E,10E,12Z,15Z)-19-carboxy-6-hydroxy-8,10,12,15-nonadecatetraen-7-yl]-L-cysteinylglycine [ACD/IUPAC Name]
L-γ-Glutamyl-S-[(6S,7R,8E,10E,12Z,15Z)-19-carboxy-6-hydroxy-8,10,12,15-nonadécatétraén-7-yl]-L-cystéinylglycine [French] [ACD/IUPAC Name]
14,15-Leukotriene C4
15S-hydroxy,14R-(S-glutathionyl)-5Z,8Z,10E,12E-eicosatetraenoic acid
75290-60-7 [RN]

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

CHEBI:63984 [DBID]
  • Miscellaneous
    • Chemical Class:

      A leukotriene that is the 14<stereo>R</stereo>-(<stereo>S</stereo>-glutathionyl),15<stereo>S</stereo>-hydroxy derivative of (5<stereo>Z</stereo>,8<stereo>Z</stereo>,10<stereo>E</stereo>,12<stereo>E</s tereo>)-icosa-7,9,11,14-tetraenoic acid. ChEBI CHEBI:63984
      A leukotriene that is the 14R-(S-glutathionyl),15S-hydroxy derivative of (5Z,8Z,10E,12E)-icosa-7,9,11,14-tetraenoic acid. ChEBI

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

Density: 1.2±0.1 g/cm3
Boiling Point: 976.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 161.4±6.0 kJ/mol
Flash Point: 544.6±34.3 °C
Index of Refraction: 1.564
Molar Refractivity: 166.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 3
ACD/LogP: 4.08
ACD/LogD (pH 5.5): -1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 242 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 510.6±3.0 cm3

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