CAS Number: 118-00-3
SMILES : c1nc2C(=O)NC(N)=Nc2n1C3OC(CO)C(O)C3O
CHEM   : Guanosine
MOL FOR: C10 H13 N5 O5 
MOL WT : 283.25
------------------------------ EPI SUMMARY (v4.10) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  -1.71
    Log Kow (Exper. database match) =  -1.90
       Exper. Ref:  SANGSTER (1993)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  665.14  (Adapted Stein & Brown method)
    Melting Pt (deg C):  289.74  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.48E-019  (Modified Grain method)
    VP (Pa, 25 deg C) :  3.3E-017  (Modified Grain method)
    MP  (exp database):  239 dec deg C
    Subcooled liquid VP: 5.08E-017 mm Hg (25 deg C, Mod-Grain method)
                       : 6.78E-015 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  3.153e+004
       log Kow used: -1.90 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  700 mg/L (18 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
     Water Sol (Exper. database match) =  750 mg/L (18 deg C)
        Exper. Ref:  MERCK INDEX (1996)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Imidazoles
       Amides 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.15E-026  atm-m3/mole  (4.21E-021 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:  2.931E-024 atm-m3/mole  (2.970E-019 Pa-m3/mole)
      VP:   2.48E-019 mm Hg (source: MPBPVP)
      WS:   3.15E+004 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -1.90  (exp database)
  Log Kaw used:  -23.770  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  21.870
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9517
   Biowin2 (Non-Linear Model)     :   0.8323
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9903  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0231  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5884
   Biowin6 (MITI Non-Linear Model):   0.1384
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4976
 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):  6.77E-015 Pa (5.08E-017 mm Hg)
  Log Koa (Koawin est  ): 21.870
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.43E+008 
       Octanol/air (Koa) model:  1.82E+009 
   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 = 100.8639 E-12 cm3/molecule-sec
      Half-Life =     0.106 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.273 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   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    :  10  L/kg (MCI method)
      Log Koc:  1.000       (MCI method)
      Koc    :  0.122  L/kg (Kow method)
      Log Koc:  -0.914      (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) = -2.6618 days (HL = 0.002179 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8932)
   Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.8932)
       log Kow used: -1.90 (expkow database)
 
 Volatilization from Water:
    Henry LC:  4.15E-026 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.374E+022  hours   (9.893E+020 days)
    Half-Life from Model Lake :  2.59E+023  hours   (1.079E+022 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       7.73e-009       2.54         1000       
   Water     30.6            360          1000       
   Soil      69.4            720          1000       
   Sediment  0.0688          3.24e+003    0          
     Persistence Time: 640 hr