CAS Number: 24292-52-2
SMILES : O=C(c(c(O)cc(OC(OC(C(O)C1O)COC(OC(C(O)C2O)C)C2O)C1O)c3)c3OC)C=Cc(ccc(
         OC)c4O)c4
CHEM   : 2-Propen-1-one, 1- 4-  6-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.beta.-
         D-glucopyranosyl oxy -2-hydroxy-6-methoxyphenyl -
MOL FOR: C29 H36 O15 
MOL WT : 624.60
    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) =  -0.25
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  863.14  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  9.91E-028  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.32E-025  (Modified Grain method)
    Subcooled liquid VP: 5.08E-024 mm Hg (25 deg C, Mod-Grain method)
                       : 6.77E-022 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  692.9
       log Kow used: -0.25 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Ketones
       Phenols, Poly 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.97E-033  atm-m3/mole  (3.01E-028 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:  1.175E-030 atm-m3/mole  (1.191E-025 Pa-m3/mole)
      VP:   9.91E-028 mm Hg (source: MPBPVP)
      WS:   693 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.25  (KowWin est)
  Log Kaw used:  -30.916  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  30.666
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9947
   Biowin2 (Non-Linear Model)     :   0.2087
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6686  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.9826  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8856
   Biowin6 (MITI Non-Linear Model):   0.0152
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7221
 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):  6.77E-022 Pa (5.08E-024 mm Hg)
  Log Koa (Koawin est  ): 30.666
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.43E+015 
       Octanol/air (Koa) model:  1.14E+018 
   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 = 341.2563 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 343.9163 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =   22.567 Min (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =   22.392 Min (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.050000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     2.100000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     1.091 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =   785.828 Min (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   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    :  3461  L/kg (MCI method)
      Log Koc:  3.539       (MCI method)
      Koc    :  2.154  L/kg (Kow method)
      Log Koc:  0.333       (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -3.4064 days (HL = 0.0003923 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.044 (BCF = 0.9038)
   Log BAF Arnot-Gobas method (upper trophic) = -0.044 (BAF = 0.9038)
       log Kow used: -0.25 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.97E-033 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 4.927E+029  hours   (2.053E+028 days)
    Half-Life from Model Lake : 5.375E+030  hours   (2.239E+029 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.85  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       1.2e-008        0.731        1000       
   Water     11              900          1000       
   Soil      86.8            1.8e+003     1000       
   Sediment  2.19            8.1e+003     0          
     Persistence Time: 1.88e+003 hr