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Search term: C[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C=O (Found by conversion of search term to chemical structure (full match))

ChemSpider 2D Image | 6-Deoxy-L-talose | C6H12O5

6-Deoxy-L-talose

  • Molecular FormulaC6H12O5
  • Average mass164.156 Da
  • Monoisotopic mass164.068466 Da
  • ChemSpider ID19986861
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

6-Deoxy-L-talose [ACD/IUPAC Name]
6-Désoxy-L-talose [French] [ACD/IUPAC Name]
7658-10-8 [RN]
L-Talose, 6-deoxy- [ACD/Index Name]
6-deoxy-L-Talose|6-deoxy-L-talose
7658-10-08
L-Rhamnose

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

7658108 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.4±0.1 g/cm3
    Boiling Point: 399.1±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 75.1±6.0 kJ/mol
    Flash Point: 209.3±22.4 °C
    Index of Refraction: 1.531
    Molar Refractivity: 36.0±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 4
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -2.04
    ACD/LogD (pH 5.5): -2.00
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.96
    ACD/LogD (pH 7.4): -2.00
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.96
    Polar Surface Area: 98 Å2
    Polarizability: 14.3±0.5 10-24cm3
    Surface Tension: 69.5±3.0 dyne/cm
    Molar Volume: 116.4±3.0 cm3

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

                            
     Log Octanol-Water Partition Coef (SRC):
        Log Kow (KOWWIN v1.67 estimate) =  -1.56
    
     Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
        Boiling Pt (deg C):  331.61  (Adapted Stein & Brown method)
        Melting Pt (deg C):  94.73  (Mean or Weighted MP)
        VP(mm Hg,25 deg C):  4.8E-007  (Modified Grain method)
        MP  (exp database):  122 deg C
        Subcooled liquid VP: 4.41E-006 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: -1.56 (estimated)
           no-melting pt equation used
    
     Water Sol Estimate from Fragments:
        Wat Sol (v1.01 est) =  1e+006 mg/L
    
     ECOSAR Class Program (ECOSAR v0.99h):
        Class(es) found:
           Aldehydes
    
     Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
       Bond Method :   1.61E-009  atm-m3/mole
       Group Method:   Incomplete
     Henrys LC [VP/WSol estimate using EPI values]:  1.037E-013 atm-m3/mole
    
     Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
      Log Kow used:  -1.56  (KowWin est)
      Log Kaw used:  -7.182  (HenryWin est)
          Log Koa (KOAWIN v1.10 estimate):  5.622
          Log Koa (experimental database):  None
    
     Probability of Rapid Biodegradation (BIOWIN v4.10):
       Biowin1 (Linear Model)         :   1.5889
       Biowin2 (Non-Linear Model)     :   1.0000
     Expert Survey Biodegradation Results:
       Biowin3 (Ultimate Survey Model):   3.4986  (days-weeks  )
       Biowin4 (Primary Survey Model) :   4.3253  (hours-days  )
     MITI Biodegradation Probability:
       Biowin5 (MITI Linear Model)    :   1.0774
       Biowin6 (MITI Non-Linear Model):   0.9847
     Anaerobic Biodegradation Probability:
       Biowin7 (Anaerobic Linear Model):  0.7467
     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):  0.000588 Pa (4.41E-006 mm Hg)
      Log Koa (Koawin est  ): 5.622
       Kp (particle/gas partition coef. (m3/ug)):
           Mackay model           :  0.0051 
           Octanol/air (Koa) model:  1.03E-007 
       Fraction sorbed to airborne particulates (phi):
           Junge-Pankow model     :  0.156 
           Mackay model           :  0.29 
           Octanol/air (Koa) model:  8.22E-006 
    
     Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
       Hydroxyl Radicals Reaction:
          OVERALL OH Rate Constant =  78.9469 E-12 cm3/molecule-sec
          Half-Life =     0.135 Days (12-hr day; 1.5E6 OH/cm3)
          Half-Life =     1.626 Hrs
       Ozone Reaction:
          No Ozone Reaction Estimation
       Fraction sorbed to airborne particulates (phi): 0.223 (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: -1.56 (estimated)
    
     Volatilization from Water:
        Henry LC:  1.61E-009 atm-m3/mole  (estimated by Bond SAR Method)
        Half-Life from Model River: 4.659E+005  hours   (1.941E+004 days)
        Half-Life from Model Lake : 5.083E+006  hours   (2.118E+005 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       0.0694          3.25         1000       
       Water     35.4            208          1000       
       Soil      64.4            416          1000       
       Sediment  0.0613          1.87e+003    0          
         Persistence Time: 362 hr
    
    
    
    
                        

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