ChemSpider 2D Image | D-gamma-Glu-Gly | C7H12N2O5

D-γ-Glu-Gly

  • Molecular FormulaC7H12N2O5
  • Average mass204.181 Da
  • Monoisotopic mass204.074615 Da
  • ChemSpider ID5036964

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

6729-55-1 [RN]
D-γ-Glu-Gly
D-γ-Glutamylglycin [German] [ACD/IUPAC Name]
D-γ-Glutamylglycine [ACD/IUPAC Name]
D-γ-Glutamylglycine [French] [ACD/IUPAC Name]
Glycine, D-γ-glutamyl- [ACD/Index Name]
Glycine, N-D-γ-glutamyl-
γ-D-Glutamylglycine
γ-D-Glutamylglycine
(2R)-2-AMINO-4-(CARBOXYMETHYLCARBAMOYL)BUTANOIC ACID
More...

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

NCGC00024475-01 [DBID]
Tocris-0112 [DBID]
UN2811 [DBID]
  • Experimental Physico-chemical Properties

    • Experimental Solubility:

      Soluble in NaOH(aq) (100mM, gentle warming) or water (100mM, gentle warming) Hello Bio HB0680
      Soluble to 100 mM in 1eq. NaOH and to 100 mM in water Tocris Bioscience 0112
      Soluble to 100 mM in 1eq. NaOH and to 100 mM in water with gentle warming Tocris Bioscience 0112, 112
  • Miscellaneous

    • Chemical Class:

      A dipeptide formed from <stereo>D</stereo>-<locant>gamma</locant>-glutamyl and glycine residues. ChEBI CHEBI:73843
      A dipeptide formed from D-gamma-glutamyl and glycine residues. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:73843, CHEBI:73843

    • Bio Activity:

      <p>Broad spectrum glutamate antagonist. Low affinity, rapidly dissociating competitive AMPA receptor antagonist which blocks AMPAR-mediated EPSCs. Also an non-selective NMDA receptor antagonist. Shows anti-depressant actions.</p> Hello Bio HB0680
      Broad spectrum glutamate receptor antagonist Tocris Bioscience 0112, 112
      Broad spectrum glutamate receptor antagonist. Tocris Bioscience 0112, 112
      Glutamate (Ionotropic) Receptors Tocris Bioscience 112
      Ion Channels Tocris Bioscience 112
      Ligand-gated Ion Channels Tocris Bioscience 112

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

Density: 1.4±0.1 g/cm3
Boiling Point: 586.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 95.7±6.0 kJ/mol
Flash Point: 308.6±30.1 °C
Index of Refraction: 1.537
Molar Refractivity: 44.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.92
ACD/LogD (pH 5.5): -5.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 69.4±3.0 dyne/cm
Molar Volume: 143.3±3.0 cm3

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  -4.94

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  478.78  (Adapted Stein & Brown method)
    Melting Pt (deg C):  303.86  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.16E-011  (Modified Grain method)
    Subcooled liquid VP: 9.4E-008 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.878e+005
       log Kow used: -4.94 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Aliphatic Amines-acid

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   9.80E-020  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  6.684E-017 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -4.94  (KowWin est)
  Log Kaw used:  -17.397  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  12.457
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1597
   Biowin2 (Non-Linear Model)     :   0.9945
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.4474  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.5730  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7245
   Biowin6 (MITI Non-Linear Model):   0.6660
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7312
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.25E-005 Pa (9.4E-008 mm Hg)
  Log Koa (Koawin est  ): 12.457
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.239 
       Octanol/air (Koa) model:  0.703 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.896 
       Mackay model           :  0.95 
       Octanol/air (Koa) model:  0.983 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  52.3978 E-12 cm3/molecule-sec
      Half-Life =     0.204 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.450 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.923 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  17.06
      Log Koc:  1.232 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: -4.94 (estimated)

 Volatilization from Water:
    Henry LC:  9.8E-020 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 8.537E+015  hours   (3.557E+014 days)
    Half-Life from Model Lake : 9.313E+016  hours   (3.88E+015 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       7.93e-011       4.9          1000       
   Water     34.5            208          1000       
   Soil      65.5            416          1000       
   Sediment  0.0596          1.87e+003    0          
     Persistence Time: 387 hr

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