ChemSpider 2D Image | S-[(4S,6E,8E,10E,13Z)-1-Carboxy-4-hydroxy-6,8,10,13-nonadecatetraen-5-yl]-L-cysteinyl-N-L-gamma-glutamylglycine | C30H47N3O9S

S-[(4S,6E,8E,10E,13Z)-1-Carboxy-4-hydroxy-6,8,10,13-nonadecatetraen-5-yl]-L-cysteinyl-N-L-γ-glutamylglycine

  • Molecular FormulaC30H47N3O9S
  • Average mass625.774 Da
  • Monoisotopic mass625.303284 Da
  • ChemSpider ID4947423
  • 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, S-[(2E,4E,6E,9Z)-1-[(1S)-4-carboxy-1-hydroxybutyl]-2,4,6,9-pentadecatetraen-1-yl]-L-cysteinyl-N-L-γ-glutamyl- [ACD/Index Name]
S-[(4S,6E,8E,10E,13Z)-1-Carboxy-4-hydroxy-6,8,10,13-nonadecatetraen-5-yl]-L-cysteinyl-N-L-γ-glutamylglycin [German] [ACD/IUPAC Name]
S-[(4S,6E,8E,10E,13Z)-1-Carboxy-4-hydroxy-6,8,10,13-nonadecatetraen-5-yl]-L-cysteinyl-N-L-γ-glutamylglycine [ACD/IUPAC Name]
S-[(4S,6E,8E,10E,13Z)-1-Carboxy-4-hydroxy-6,8,10,13-nonadécatétraén-5-yl]-L-cystéinyl-N-L-γ-glutamylglycine [French] [ACD/IUPAC Name]
(5S,7E,9E,11E,14Z)-6-{[(2R)-2-AMINO-2-{[(4S)-4-AMINO-4-CARBOXYBUTANOYL](CARBOXYMETHYL)CARBAMOYL}ETHYL]SULFANYL}-5-HYDROXYICOSA-7,9,11,14-TETRAENOIC ACID
11-trans Leukotriene C4
11-trans-Leukotriene
5(S)-Hydroxy-6(R)-S-glutathionyl-7,9,11-trans-14-cis-eicosatetraenoic acid
Glycine, N-(S-(1-(4-carboxy-1-hydroxybutyl)-2,4,6,9-pentadecatetraenyl)-N-L-γ-glutamyl-L-cysteinyl)-, (R-(R*,S*-(E,E,E,Z)))-
Leukotriene C-2

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

Density: 1.2±0.1 g/cm3
Boiling Point: 887.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.5±6.0 kJ/mol
Flash Point: 490.4±34.3 °C
Index of Refraction: 1.574
Molar Refractivity: 166.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: 4.65
ACD/LogD (pH 5.5): -0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 247 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 503.9±3.0 cm3

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