CAS Number: 20830-75-5
SMILES : CC1OC(CC(O)C1O)OC2C(C)OC(CC2O)OC3C(C)OC(CC3O)OC4CCC5(C)C(CCC6C5CC(O)C
         7(C)C(CCC67O)C8=CC(=O)OC8)C4
CHEM   : Card-20(22)-enolide, 3-[(o-2,6-dideoxy- -D-ribo-hexopyranosyl-(1-->)-
         o-2,6-dideoxy- -D-ribo-hexopyranosyl-(1-->)-2,6-di
MOL FOR: C41 H64 O14 
MOL WT : 780.96
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
 Physical Property Inputs:
------------------------------ EPI SUMMARY (v3.20) --------------------------
    Water Solubility (mg/L):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  0.50
    Log Kow (Exper. database match) =  1.26
       Exper. Ref:  SANGSTER (1993)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  931.42  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.23E-029  (Modified Grain method)
    VP (Pa, 25 deg C) :  8.3E-027  (Modified Grain method)
    MP  (exp database):  249 dec deg C
    Subcooled liquid VP: 1.69E-026 mm Hg (25 deg C, Mod-Grain method)
                       : 2.26E-024 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.8457
       log Kow used: 1.26 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  64.8 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5.6482e+005 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
       Vinyl/Allyl Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.66E-027  atm-m3/mole  (4.72E-022 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:  7.570E-029 atm-m3/mole  (7.670E-024 Pa-m3/mole)
      VP:   6.23E-029 mm Hg (source: MPBPVP)
      WS:   0.846 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.26  (exp database)
  Log Kaw used:  -24.720  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  25.980
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -1.2924
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.7250  (recalcitrant)
   Biowin4 (Primary Survey Model) :   3.0785  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2189
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -2.0759
 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):  2.25E-024 Pa (1.69E-026 mm Hg)
  Log Koa (Koawin est  ): 25.980
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.33E+018 
       Octanol/air (Koa) model:  2.34E+013 
   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 = 244.6572 E-12 cm3/molecule-sec
      Half-Life =     0.044 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.525 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     7.393750 E-17 cm3/molecule-sec
      Half-Life =     0.155 Days (at 7E11 mol/cm3)
      Half-Life =      3.720 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    :  9.928E+004  L/kg (MCI method)
      Log Koc:  4.997       (MCI method)
      Koc    :  1.549  L/kg (Kow method)
      Log Koc:  0.190       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.498 (BCF = 3.15 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.5935 days (HL = 0.0255 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.254 (BCF = 1.795)
   Log BAF Arnot-Gobas method (upper trophic) = 0.254 (BAF = 1.795)
       log Kow used: 1.26 (expkow database)
 
 Volatilization from Water:
    Henry LC:  4.66E-027 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 3.511E+023  hours   (1.463E+022 days)
    Half-Life from Model Lake :  3.83E+024  hours   (1.596E+023 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.92  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.83  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       0.00498         0.818        1000       
   Water     3.02            4.32e+003    1000       
   Soil      63.5            8.64e+003    1000       
   Sediment  33.4            3.89e+004    0          
     Persistence Time: 7.08e+003 hr