ChemSpider 2D Image | 5-Phosphono-D-norvaline | C5H12NO5P

5-Phosphono-D-norvaline

  • Molecular FormulaC5H12NO5P
  • Average mass197.126 Da
  • Monoisotopic mass197.045303 Da
  • ChemSpider ID119225

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

5-Phosphono-D-norvaline [ACD/IUPAC Name]
(-)-2-Amino-5-phosphonovaleric acid
(2R)-2-amino-5-phosphonopentanoic acid
(R)-5-Phosphono-2-aminovaleric acid
2-APV
5-Phosphono-D-norvalin [German] [ACD/IUPAC Name]
5-Phosphono-D-norvaline [French] [ACD/IUPAC Name]
79055-68-8 [RN]
AP5
D(-)-2-Amino-5-phosphonopentanoic acid
More...

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

A8054_SIGMA [DBID]
Lopac-A-5282 [DBID]
NCGC00015065-01 [DBID]
NCGC00024470-01 [DBID]
NCGC00024471-01 [DBID]
NCGC00024472-01 [DBID]
Tocris-0105 [DBID]
Tocris-0106 [DBID]
Tocris-0107 [DBID]
  • References
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      <p>Widely used, selective and competitive NMDA receptor antagonist which binds at the glutamate site. It is the more active form of <a title="Low cost high quality DL-AP5 from Hello Bio" href="/dlap5.html" target="_self">DL-AP5</a>.</p> <p><br />D-AP5 blocks induction of LTP (long term potentiation) in a reversible manner and is frequently used to inhibit NMDAR-mediated synaptic plasticity. Also impairs spatial learning.</p> Hello Bio HB0225
      <p>Widely used, selective and competitive NMDA receptor antagonist which binds at the glutamate site. It is the more active form of <a title=Low cost high quality DL-AP5 from Hello Bio href=/dlap5.html target=_self>DL-AP5</a>.</p> <p><br />D-AP5 blocks induction of LTP (long term potentiation) and impairs spatial learning.</p> Hello Bio HB0225
      Biochemicals & small molecules/Antagonists & inhibitors Hello Bio HB0225
      Glutamate (Ionotropic) Receptors Tocris Bioscience 106
      Ion Channels Tocris Bioscience 106
      Ion channels/Ligand-gated ion channel/Ionotropic glutamate receptors/NMDA Hello Bio HB0225
      Ligand-gated Ion Channels Tocris Bioscience 106
      Potent, selective NMDA antagonist; more active form of DL-AP5 (Cat. No. 0105) Tocris Bioscience 0106, 106
      Selective, competitive NMDA receptor antagonist Hello Bio HB0225
      Widely used competitive NMDA antagonist. More active form of AP5. Also agonist at quisqualate-sensitized AP6 site where it is less potent than the L-isomer, L-AP5 (Cat. No. 0107). Also available as pa rt of the Mixed NMDA Receptor Tocriset™ or as a mixed isomer DL-AP5 (Cat. No. 0105). Tocris Bioscience 0106
      Widely used competitive NMDA antagonist. More active form of AP5. Also agonist at quisqualate-sensitized AP6 site where it is less potent than the L-isomer, L-AP5 (Cat. No. 0107). Also available as part of the Mixed NMDA Receptor Tocriset? or as a mixed isomer DL-AP5 (Cat. No. 0105). Tocris Bioscience 106
      Widely used competitive NMDA antagonist. More active form of AP5. Also agonist at quisqualate-sensitized AP6 site where it is less potent than the L-isomer, L-AP5 (Cat. No.0107). Available as part of the Mixed NMDA Receptor Tocriset?. DL Mixture and L-isomer also available. Tocris Bioscience 106

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

Density: 1.5±0.1 g/cm3
Boiling Point: 482.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 81.8±6.0 kJ/mol
Flash Point: 245.4±31.5 °C
Index of Refraction: 1.536
Molar Refractivity: 40.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -2.32
ACD/LogD (pH 5.5): -5.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 131 Å2
Polarizability: 15.9±0.5 10-24cm3
Surface Tension: 79.4±3.0 dyne/cm
Molar Volume: 128.9±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) =  -3.54

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  442.78  (Adapted Stein & Brown method)
    Melting Pt (deg C):  236.53  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.96E-011  (Modified Grain method)
    Subcooled liquid VP: 3.76E-009 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):  4.049e+005
       log Kow used: -3.54 (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 :   4.35E-019  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.256E-017 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -3.54  (KowWin est)
  Log Kaw used:  -16.750  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  13.210
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8802
   Biowin2 (Non-Linear Model)     :   0.8768
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1526  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9922  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4377
   Biowin6 (MITI Non-Linear Model):   0.2448
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.1123
 Ready Biodegradability Prediction:   NO

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

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  5.01E-007 Pa (3.76E-009 mm Hg)
  Log Koa (Koawin est  ): 13.210
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.98 
       Octanol/air (Koa) model:  3.98 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.995 
       Mackay model           :  0.998 
       Octanol/air (Koa) model:  0.997 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  42.4187 E-12 cm3/molecule-sec
      Half-Life =     0.252 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.026 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.997 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  57.29
      Log Koc:  1.758 

 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: -3.54 (estimated)

 Volatilization from Water:
    Henry LC:  4.35E-019 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:  1.89E+015  hours   (7.874E+013 days)
    Half-Life from Model Lake : 2.062E+016  hours   (8.59E+014 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       3.82e-009       6.05         1000       
   Water     39              360          1000       
   Soil      60.9            720          1000       
   Sediment  0.0713          3.24e+003    0          
     Persistence Time: 579 hr

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