CAS Num: 053956-04-0
SMILES : O6C(C(=O)ON(H)(H)(H)H)C(C(C(C6OC1C(OC7CCC3(C4C(=O)C=C5C(C4(CCC3C7(C)C
         )C)(CCC2(C5CC(C(=O)O)(CC2)C)C)C)C)OC(C(=O)O)C(C1O)O)O)O)O
CHEM   : a-D-Glucopyranosiduronic acid, (3 ,20 )-20-carboxy-11-oxo-30-norolean
         -12-en-3-yl 2-o- -D-glucopyranuronosyl-, monoammon
MOL FOR: C42 H65 N1 O16 
MOL WT : 839.98
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  0.32

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  1154.05  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.04E-036  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.38E-034  (Modified Grain method)
    MP  (exp database):  209 deg C
    Subcooled liquid VP: 9.31E-035 mm Hg (25 deg C, Mod-Grain method)
                       : 1.24E-032 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5.355
       log Kow used: 0.32 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  95571 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Ketones-acid

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.89E-044  atm-m3/mole  (5.96E-039 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  2.064E-031 atm-m3/mole  (2.091E-026 Pa-m3/mole)
      VP:   1E-030 mm Hg (source: MPBPVP)
      WS:   5.36 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.32  (KowWin est)
  Log Kaw used:  -41.619  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  41.939
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -1.1995
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.5421  (recalcitrant)
   Biowin4 (Primary Survey Model) :   3.0724  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2621
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -3.1489
 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):  1.24E-032 Pa (9.31E-035 mm Hg)
  Log Koa (Koawin est  ): 41.939
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.42E+026 
       Octanol/air (Koa) model:  2.13E+029 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 222.6512 E-12 cm3/molecule-sec
      Half-Life =     0.048 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.576 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-Pankow, Mackay avg)
      1 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2.262E+004  L/kg (MCI method)
      Log Koc:  4.355       (MCI method)
      Koc    :  0.1299  L/kg (Kow method)
      Log Koc:  -0.886      (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.320E-003  L/mol-sec
  Kb Half-Life at pH 8:      16.634  years  
  Kb Half-Life at pH 7:     166.338  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7899 days (HL = 0.1622 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.035 (BCF = 1.085)
   Log BAF Arnot-Gobas method (upper trophic) = 0.035 (BAF = 1.085)
       log Kow used: 0.32 (estimated)

 Volatilization from Water:
    Henry LC:  5.89E-044 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.881E+040  hours   (1.2E+039 days)
    Half-Life from Model Lake : 3.143E+041  hours   (1.31E+040 days)

 Removal In Wastewater Treatment:
    Total removal:               1.86  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  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       4.77e-011       1.1          1000       
   Water     3.29            4.32e+003    1000       
   Soil      87.8            8.64e+003    1000       
   Sediment  8.91            3.89e+004    0          
     Persistence Time: 8.93e+003 hr