ChemSpider 2D Image | gamma-Glutamyl-S-[(5Z,8R,10Z,13Z)-1-carboxy-4-oxo-5,10,13-nonadecatrien-8-yl]cysteinylglycine | C30H47N3O9S

γ-Glutamyl-S-[(5Z,8R,10Z,13Z)-1-carboxy-4-oxo-5,10,13-nonadecatrien-8-yl]cysteinylglycine

  • Molecular FormulaC30H47N3O9S
  • Average mass625.774 Da
  • Monoisotopic mass625.303284 Da
  • ChemSpider ID58785886
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 3 defined stereocentres


More details:






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

Glycine, γ-glutamyl-S-[(1R,3Z,6Z)-1-[(2Z)-7-carboxy-4-oxo-2-hepten-1-yl]-3,6-dodecadien-1-yl]cysteinyl- [ACD/Index Name]
γ-Glutamyl-S-[(5Z,8R,10Z,13Z)-1-carboxy-4-oxo-5,10,13-nonadecatrien-8-yl]cysteinylglycin [German] [ACD/IUPAC Name]
γ-Glutamyl-S-[(5Z,8R,10Z,13Z)-1-carboxy-4-oxo-5,10,13-nonadecatrien-8-yl]cysteinylglycine [ACD/IUPAC Name]
γ-Glutamyl-S-[(5Z,8R,10Z,13Z)-1-carboxy-4-oxo-5,10,13-nonadécatrién-8-yl]cystéinylglycine [French] [ACD/IUPAC Name]
FOG9

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

Density: 1.2±0.1 g/cm3
Boiling Point: 962.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 152.0±6.0 kJ/mol
Flash Point: 535.9±34.3 °C
Index of Refraction: 1.551
Molar Refractivity: 164.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 3
ACD/LogP: 4.27
ACD/LogD (pH 5.5): -0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 238 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 516.2±3.0 cm3

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