ChemSpider 2D Image | Fmoc-Osu | C19H15NO5

Fmoc-Osu

  • Molecular FormulaC19H15NO5
  • Average mass337.326 Da
  • Monoisotopic mass337.095032 Da
  • ChemSpider ID118264

More details:

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

1-{[(9H-Fluoren-9-ylmethoxy)carbonyl]oxy}-2,5-pyrrolidindion [German] [ACD/IUPAC Name]
1-{[(9H-Fluoren-9-ylmethoxy)carbonyl]oxy}-2,5-pyrrolidinedione [ACD/IUPAC Name]
1-{[(9H-Fluorén-9-ylméthoxy)carbonyl]oxy}-2,5-pyrrolidinedione [French] [ACD/IUPAC Name]
1-{[(9H-Fluoren-9-ylmethoxy)carbonyl]oxy}pyrrolidin-2,5-dion
1-{[(9H-fluoren-9-ylmethoxy)carbonyl]oxy}pyrrolidine-2,5-dione
1-{[(9H-Fluoren-9-ylmethoxy)carbonyl]-oxy}pyrrolidine-2,5-dione
2,5-dioxotetrahydro-1H-pyrrol-1-yl (9H-fluoren-9-ylmethyl) carbonate
2,5-Pyrrolidinedione, 1-(((9H-fluoren-9-ylmethoxy)carbonyl)oxy)-
2,5-Pyrrolidinedione, 1-[[(9H-fluoren-9-ylmethoxy)carbonyl]oxy]- [ACD/Index Name]
433-520-5 [EINECS]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

289507_ALDRICH [DBID]
46920_FLUKA [DBID]
BAS 00033369 [DBID]
CBDivE_000404 [DBID]
CCRIS 4693 [DBID]
Maybridge3_003020 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 494.3±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 252.7±26.8 °C
Index of Refraction: 1.662
Molar Refractivity: 87.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 69.10
ACD/KOC (pH 5.5): 721.66
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 69.10
ACD/KOC (pH 7.4): 721.66
Polar Surface Area: 73 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 66.8±5.0 dyne/cm
Molar Volume: 236.4±5.0 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) =  1.04

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  565.66  (Adapted Stein & Brown method)
    Melting Pt (deg C):  243.27  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.49E-012  (Modified Grain method)
    Subcooled liquid VP: 5.75E-010 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):  73.84
       log Kow used: 1.04 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  8.4548 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Imides

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.53E-011  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.497E-014 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.04  (KowWin est)
  Log Kaw used:  -8.841  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.881
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6416
   Biowin2 (Non-Linear Model)     :   0.2307
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3789  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2925  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1466
   Biowin6 (MITI Non-Linear Model):   0.0061
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2228
 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):  7.67E-008 Pa (5.75E-010 mm Hg)
  Log Koa (Koawin est  ): 9.881
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  39.1 
       Octanol/air (Koa) model:  0.00187 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.999 
       Mackay model           :  1 
       Octanol/air (Koa) model:  0.13 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  30.0147 E-12 cm3/molecule-sec
      Half-Life =     0.356 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.276 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.821E+004
      Log Koc:  4.260 

 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 = 0.102 (BCF = 1.266)
       log Kow used: 1.04 (estimated)

 Volatilization from Water:
    Henry LC:  3.53E-011 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 3.046E+007  hours   (1.269E+006 days)
    Half-Life from Model Lake : 3.323E+008  hours   (1.385E+007 days)

 Removal In Wastewater Treatment:
    Total removal:               1.89  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.80  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       0.279           8.55         1000       
   Water     43.7            900          1000       
   Soil      56              1.8e+003     1000       
   Sediment  0.093           8.1e+003     0          
     Persistence Time: 805 hr

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