ChemSpider 2D Image | 11-trans-Leukotriene C4 | C30H47N3O9S

11-trans-Leukotriene C4

  • Molecular FormulaC30H47N3O9S
  • Average mass625.774 Da
  • Monoisotopic mass625.303284 Da
  • ChemSpider ID4446258
  • 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

11-trans-Leukotriene C4
11-trans Leukotriene C4
74841-69-3 [RN]
Glycine, L-γ-glutamyl-S-[(1R,2E,4E,6E,9Z)-1-[(1S)-4-carboxy-1-hydroxybutyl]-2,4,6,9-pentadecatetraen-1-yl]-L-cysteinyl- [ACD/Index Name]
L-γ-Glutamyl-S-[(4S,5R,6E,8E,10E,13Z)-1-carboxy-4-hydroxy-6,8,10,13-nonadecatetraen-5-yl]-L-cysteinylglycin [German] [ACD/IUPAC Name]
L-γ-Glutamyl-S-[(4S,5R,6E,8E,10E,13Z)-1-carboxy-4-hydroxy-6,8,10,13-nonadecatetraen-5-yl]-L-cysteinylglycine [ACD/IUPAC Name]
L-γ-Glutamyl-S-[(4S,5R,6E,8E,10E,13Z)-1-carboxy-4-hydroxy-6,8,10,13-nonadécatétraén-5-yl]-L-cystéinylglycine [French] [ACD/IUPAC Name]
[R-[R*,S*-(E,E,E,Z)]]-N-[S-[1-(4-carboxy-1-hydroxybutyl)-2,4,6,9-pentadecatetraenyl]-N-L-g-glutamyl-L-cysteinyl]-Glycine
[R-[R*,S*-(E,E,E,Z)]]-N-[S-[1-(4-carboxy-1-hydroxybutyl)-2,4,6,9-pentadecatetraenyl]-N-L-γ-glutamyl-L-cysteinyl]-Glycine
Leukotriene C2
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMFA03020020 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 974.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 160.9±6.0 kJ/mol
Flash Point: 543.1±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: 4.35
ACD/LogD (pH 5.5): -1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.36
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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