ChemSpider 2D Image | L-(+)-Glutamic acid | C5H9NO4

L-(+)-Glutamic acid

  • Molecular FormulaC5H9NO4
  • Average mass147.129 Da
  • Monoisotopic mass147.053162 Da
  • ChemSpider ID30572
  • defined stereocentres - 1 of 1 defined stereocentres


More details:



Featured data source



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

L-(+)-Glutamic acid
(2S)-2-Aminopentandisäure [German]
(2S)-2-aminopentanedioic acid
(S)-(+)-Glutamic acid
(S)-2-Aminoglutaric acid
(S)-2-Aminopentanedioic acid
1-Aminopropane-1,3-dicarboxylic acid
210-522-2 [EINECS]
2-Aminopentanedioic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3KX376GY7L [DBID]
CHEBI:16015 [DBID]
LZ9700000 [DBID]
MFCD00002634 [DBID]
09581_FLUKA [DBID]
49449_FLUKA [DBID]
49460_FLUKA [DBID]
AI3-09072 [DBID]
AI3-18472 [DBID]
AIDS071819 [DBID]
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  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-37788]
      white crystalline powder Oxford University Chemical Safety Data (No longer updated) More details
      White free-flowing, crystalline powder; Yeasty, bread-like aroma Food and Agriculture Organization of the United Nations L-Glutamic acid
    • Stability:

      Stable. Incompatible with strong oxidizing agents. Oxford University Chemical Safety Data (No longer updated) More details
    • Toxicity:

      Organic Compound; Amine; Drug; Food Toxin; Dietary Supplement; Micronutrient; Metabolite; Nutraceutical; Household Toxin; Animal Toxin; Natural Compound; Supplement; Non-Essential Amino Acid Toxin, Toxin-Target Database T3D4296
      ORL-RAT LD50 > 30000 mg kg-1 Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      20/21/22 Novochemy [NC-37788]
      20/21/36/37/39 Novochemy [NC-37788]
      GHS07; GHS09 Novochemy [NC-37788]
      H332; H403 Novochemy [NC-37788]
      P332+P313; P305+P351+P338 Novochemy [NC-37788]
      Safety glasses. Oxford University Chemical Safety Data (No longer updated) More details
      Warning Novochemy [NC-37788]
      WARNING: Not for human consumption, may irriate skin & eyes. Alfa Aesar A15031
      WARNING: Not sold for human treatment, trials or use Alfa Aesar A15031
      Xn Novochemy [NC-37788]
    • Chemical Class:

      A macromolecule composed of repeating <locant>gamma</locant>-linked <stereo>L</stereo>-glutamyl units. ChEBI CHEBI:16015, CHEBI:53374
      An optically active form of glutamic acid having <stereo>L</stereo>-configuration. ChEBI CHEBI:16015, CHEBI:53374
      An optically active form of glutamic acid having L-configuration. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16015
    • Bio Activity:

      7-TM Receptors Tocris Bioscience 218
      Biochemicals & small molecules/Agonists & activators Hello Bio [HB0383]
      Endogenous, non-selective agonist Tocris Bioscience 0218, 218
      Glutamate (Metabotropic) Receptors Tocris Bioscience 218
      Glutamate receptor excitatory neurotransmitter Hello Bio [HB0383]
      Ion channels/Ligand-gated ion channel/Ionotropic glutamate receptors/Miscellaneous Hello Bio [HB0383]
      Non-selective mGlu Tocris Bioscience 218
      Predominant excitatory neurotransmitter in the CNS. Active at ionotropic and metabotropic glutamate receptors. Physiological roles in vivo. Also associated with neuronal cell death and neurodegenerative disease pathogensesis. Hello Bio [HB0383]
      The predominant excitatory transmitter in the mammalian central nervous system. Acts at ionotropic and metabotropic glutamate receptors. MNI-caged-L-glutamate (Cat. No. 1490) and D-Glutamic acid (Cat. No. 0217) are also available. Tocris Bioscience 218
      The predominant excitatory transmitter in the mammalian central nervous system. Acts at ionotropic and metabotropic glutamate receptors. MNI-caged-L-glutamate (Cat. No. 1490) and D-Glutamic acid (Cat. No. 0217) are also available. Tocris Bioscience 0218
      The predominant excitatory transmitter in the mammalian central nervous system. Acts at ionotropic and metabotropic glutamate receptors. MNI-caged-L-glutamate and D-isomer also available. Tocris Bioscience 218

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

Density: 1.4±0.1 g/cm3
Boiling Point: 333.8±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 63.4±6.0 kJ/mol
Flash Point: 155.7±25.1 °C
Index of Refraction: 1.522
Molar Refractivity: 31.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.43
ACD/LogD (pH 5.5): -4.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 12.6±0.5 10-24cm3
Surface Tension: 69.2±3.0 dyne/cm
Molar Volume: 104.4±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) =  -3.83
    Log Kow (Exper. database match) =  -3.69
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  359.34  (Adapted Stein & Brown method)
    Melting Pt (deg C):  228.35  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.1E-006  (Modified Grain method)
    MP  (exp database):  201 deg C
    VP  (exp database):  1.70E-08 mm Hg at 25 deg C
    Subcooled liquid VP: 9.36E-007 mm Hg (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  9.416e+005
       log Kow used: -3.69 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  8570 mg/L (25 deg C)
        Exper. Ref:  BULL,HB ET AL. (1978)
     Water Sol (Exper. database match) =  2.05e+004 mg/L (25 deg C)
        Exper. Ref:  HORN,AS (1981)
     Water Sol (Exper. database match) =  8880 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
     Water Sol (Exper. database match) =  1.5e+004 mg/L (20 deg C)
        Exper. Ref:  BEILSTEIN

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.9609e+005 mg/L
    Wat Sol (Exper. database match) =  8570.00
       Exper. Ref:  BULL,HB ET AL. (1978)
    Wat Sol (Exper. database match) =  20500.00
       Exper. Ref:  HORN,AS (1981)
    Wat Sol (Exper. database match) =  8880.00
       Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
    Wat Sol (Exper. database match) =  15000.00
       Exper. Ref:  BEILSTEIN

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.47E-014  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.262E-013 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -3.69  (exp database)
  Log Kaw used:  -12.221  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.531
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9767
   Biowin2 (Non-Linear Model)     :   0.9650
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.6277  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.4499  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7182
   Biowin6 (MITI Non-Linear Model):   0.7354
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.2730
 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):  0.000125 Pa (9.36E-007 mm Hg)
  Log Koa (Koawin est  ): 8.531
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.024 
       Octanol/air (Koa) model:  8.34E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.465 
       Mackay model           :  0.658 
       Octanol/air (Koa) model:  0.00663 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  40.9584 E-12 cm3/molecule-sec
      Half-Life =     0.261 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.134 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.561 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  14.46
      Log Koc:  1.160 

 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: -3.69 (expkow database)

 Volatilization from Water:
    Henry LC:  1.47E-014 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 4.831E+010  hours   (2.013E+009 days)
    Half-Life from Model Lake :  5.27E+011  hours   (2.196E+010 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       5.22e-007       6.27         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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