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ChemSpider 2D Image | sodium ascorbate | C6H7NaO6

sodium ascorbate

  • Molecular FormulaC6H7NaO6
  • Average mass198.106 Da
  • Monoisotopic mass198.014038 Da
  • ChemSpider ID10468493

  • Charge - Charge

More details:

Date of deprecation: 10:23, Oct 22, 2014
Reason for deprecation: Deprecate record: Oxygen-sodium covalent bond.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

134-03-2 [RN]
2-(1,2-Dihydroxyéthyl)-4-hydroxy-5-oxo-2,5-dihydro-3-furanolate de sodium (non-preferred name) [French] [ACD/IUPAC Name]
5-(1,2-Dihydroxyéthyl)-4-hydroxy-2-oxo-2,5-dihydro-3-furanolate de sodium (non-preferred name) [French] [ACD/IUPAC Name]
l-Ascorbate, sodium
Natrium-2-(1,2-dihydroxyethyl)-4-hydroxy-5-oxo-2,5-dihydro-3-furanolat (non-preferred name) [German] [ACD/IUPAC Name]
Natrium-5-(1,2-dihydroxyethyl)-4-hydroxy-2-oxo-2,5-dihydro-3-furanolat (non-preferred name) [German] [ACD/IUPAC Name]
sodium (2R)-2-(1,2-dihydroxyethyl)-4-hydroxy-5-oxo-2,5-dihydrofuran-3-olate
Sodium 2-(1,2-dihydroxyethyl)-4-hydroxy-5-oxo-2,5-dihydro-3-furanolate (non-preferred name) [ACD/IUPAC Name]
Sodium 5-(1,2-dihydroxyethyl)-4-hydroxy-2-oxo-2,5-dihydro-3-furanolate (non-preferred name) [ACD/IUPAC Name]
sodium ascorbate [INN]
More...

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

No predicted properties have been calculated for this compound.

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

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  -7.05

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  625.33  (Adapted Stein & Brown method)
    Melting Pt (deg C):  271.14  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.33E-018  (Modified Grain method)
    Subcooled liquid VP: 1.19E-015 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):  1e+006
       log Kow used: -7.05 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  6.2e+005 mg/L (25 deg C)
        Exper. Ref:  MERCK INDEX (1996)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
    Wat Sol (Exper. database match) =  620000.00
       Exper. Ref:  MERCK INDEX (1996)

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Acrylates
       Vinyl/Allyl Alcohols

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.09E-011  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  6.074E-025 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -7.05  (KowWin est)
  Log Kaw used:  -8.777  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  1.727
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.3036
   Biowin2 (Non-Linear Model)     :   0.9995
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3815  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.1792  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9611
   Biowin6 (MITI Non-Linear Model):   0.9217
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.3058
 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):  1.59E-013 Pa (1.19E-015 mm Hg)
  Log Koa (Koawin est  ): 1.727
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.89E+007 
       Octanol/air (Koa) model:  1.31E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1.05E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  55.6569 E-12 cm3/molecule-sec
      Half-Life =     0.192 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.306 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec
      Half-Life =     1.007 Days (at 7E11 mol/cm3)
      Half-Life =     24.179 Hrs
   Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  10
      Log Koc:  1.000 

 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: -1.85 (expkow database)

 Volatilization from Water:
    Henry LC:  4.09E-011 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.015E+007  hours   (8.395E+005 days)
    Half-Life from Model Lake : 2.198E+008  hours   (9.158E+006 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       0.589           3.87         1000       
   Water     41.3            208          1000       
   Soil      58              416          1000       
   Sediment  0.0715          1.87e+003    0          
     Persistence Time: 258 hr

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