ChemSpider 2D Image | L-gamma-Glutamyl-S-[(6S,7S,8E,10E,12Z,15Z)-19-carboxy-6-hydroxy-8,10,12,15-nonadecatetraen-7-yl]cysteinylglycine | C30H47N3O9S

L-γ-Glutamyl-S-[(6S,7S,8E,10E,12Z,15Z)-19-carboxy-6-hydroxy-8,10,12,15-nonadecatetraen-7-yl]cysteinylglycine

  • Molecular FormulaC30H47N3O9S
  • Average mass625.774 Da
  • Monoisotopic mass625.303284 Da
  • ChemSpider ID68025516
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres


More details:






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

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

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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