ChemSpider 2D Image | L-gamma-Glutamyl-S-[(4Z,6E)-4-(ethylimino)-6-(isopropylimino)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]cysteinylglycine | C18H30N8O6S

L-γ-Glutamyl-S-[(4Z,6E)-4-(ethylimino)-6-(isopropylimino)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]cysteinylglycine

  • Molecular FormulaC18H30N8O6S
  • Average mass486.546 Da
  • Monoisotopic mass486.200897 Da
  • ChemSpider ID68027470

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Glycine, L-γ-glutamyl-S-[(4Z,6E)-4-(ethylimino)-1,4,5,6-tetrahydro-6-[(1-methylethyl)imino]-1,3,5-triazin-2-yl]cysteinyl- [ACD/Index Name]
L-γ-Glutamyl-S-[(4Z,6E)-4-(ethylimino)-6-(isopropylimino)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]cysteinylglycin [German] [ACD/IUPAC Name]
L-γ-Glutamyl-S-[(4Z,6E)-4-(ethylimino)-6-(isopropylimino)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]cysteinylglycine [ACD/IUPAC Name]
L-γ-Glutamyl-S-[(4Z,6E)-4-(éthylimino)-6-(isopropylimino)-1,4,5,6-tétrahydro-1,3,5-triazin-2-yl]cystéinylglycine [French] [ACD/IUPAC Name]
Atrazine Glutathione Adduct
ATRAZINE GLUTATHIONE CONJUGATE

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.666
Molar Refractivity: 118.6±0.5 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 0.20
ACD/LogD (pH 5.5): -3.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 245 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 63.7±7.0 dyne/cm
Molar Volume: 318.9±7.0 cm3

Click to predict properties on the Chemicalize site


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