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Search term: N[C@H](CCC(=O)O)C(=O)O (Found by conversion of search term to chemical structure (full match))

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

D-(-)-Glutamic acid

  • Molecular FormulaC5H9NO4
  • Average mass147.129 Da
  • Monoisotopic mass147.053162 Da
  • ChemSpider ID21814
  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-(-)-Glutamic acid
(-)-Glutamic acid
(2R)-2-Aminopentandisäure [German]
(R)-2-Aminoglutaric acid
(R)-2-aminopentanedioic acid
138-16-9 [RN]
230-000-8 [EINECS]
6893-26-1 [RN]

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

Q479989WEA [DBID]
Lopac-γ-2128 [DBID]
49460_FLUKA [DBID]
AI3-09072 [DBID]
Biomol-NT_000169 [DBID]
BPBio1_001130 [DBID]
C00217 [DBID]
CHEBI:15966 [DBID]
FEMA No. 3285 [DBID]
  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-46414]
    • Safety:

      20/21/22 Novochemy [NC-46414]
      20/21/36/37/39 Novochemy [NC-46414]
      CAUTION: May irritate eyes, skin, and respiratory tract Alfa Aesar A14191
      GHS07 Biosynth Q-100774
      GHS07; GHS09 Novochemy [NC-46414]
      H315; H319; H335 Biosynth Q-100774
      H332; H403 Novochemy [NC-46414]
      IRRITANT Matrix Scientific 075426
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-46414]
      P261; P280; P302+P352; P304+P340; P305+P351+P338; P312 Biosynth Q-100774
      R52/2466 Novochemy [NC-46414]
      Warning Biosynth Q-100774
      Warning Novochemy [NC-46414]
    • Chemical Class:

      A biomacromolecule comprised of repeating <stereo>D</stereo>-glutamic acid residues linked by peptidic bonds between the amino and <locant>gamma</locant>-carboxy groups. ChEBI CHEBI:15966, CHEBI:53375
      An optically active form of glutamic acid having <stereo>D</stereo>-configuration. ChEBI CHEBI:15966, CHEBI:53375
      An optically active form of glutamic acid having D-configuration. ChEBI
    • Bio Activity:

      Biochemicals & small molecules/Agonists & activators Hello Bio [HB0243]
      Endogenous NMDA receptor excitatory amino acid Hello Bio [HB0243]
      Endogenous NMDA receptor excitatory amino acid. Less active than L-Glutamic acid. Hello Bio [HB0243]
      Endogenous, non-selective agonist. Less active enantiomer Tocris Bioscience 0217, 217
      Excitatory amino acid acting at NMDA receptors; less active than the L-isomer, L-glutamic acid (Cat. No. 0218). Tocris Bioscience 0217, 217
      Excitatory amino acid acting at NMDA receptors; less active than the L-isomer. L-isomer also available. Tocris Bioscience 217
      Glutamate (Ionotropic) Receptors Tocris Bioscience 217
      Ion Channels Tocris Bioscience 217
      Ion channels/Ligand-gated ion channel/Ionotropic glutamate receptors/NMDA Hello Bio [HB0243]
      Ligand-gated Ion Channels Tocris Bioscience 217

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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