ChemSpider 2D Image | Leukotriene C4-d5 | C30H42D5N3O9S

Leukotriene C4-d5

  • Molecular FormulaC30H42D5N3O9S
  • Average mass630.805 Da
  • Monoisotopic mass630.334656 Da
  • ChemSpider ID29763686

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1441421-73-3 [RN]
Glycine, L-γ-glutamyl-S-[(1R,2E,4E,6Z,9Z)-1-[(1S)-4-carboxy-1-hydroxybutyl]-2,4,6,9-pentadecatetraen-1-yl-14,14,15,15,15-d5]-L-cysteinyl- [ACD/Index Name]
Leukotriene C4-d5
L-γ-Glutamyl-S-[(4S,5R,6E,8E,10Z,13Z)-1-carboxy-4-hydroxy(18,18,19,19,19-2H5)-6,8,10,13-nonadecatetraen-5-yl]-L-cysteinylglycin [German] [ACD/IUPAC Name]
L-γ-Glutamyl-S-[(4S,5R,6E,8E,10Z,13Z)-1-carboxy-4-hydroxy(18,18,19,19,19-2H5)-6,8,10,13-nonadecatetraen-5-yl]-L-cysteinylglycine [ACD/IUPAC Name]
L-γ-Glutamyl-S-[(4S,5R,6E,8E,10Z,13Z)-1-carboxy-4-hydroxy(18,18,19,19,19-2H5)-6,8,10,13-nonadécatétraén-5-yl]-L-cystéinylglycine [French] [ACD/IUPAC Name]
5S-hydroxy-6R-(S-glutathionyl)-7E,9E,11Z,14Z-d5-eicosatetraenoic acid

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

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

Click to predict properties on the Chemicalize site


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