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Search term: 254109-22-3 (Found by approved synonym)
ChemSpider 2D Image | DAF-FM DA | C25H18F2N2O7

DAF-FM DA

  • Molecular FormulaC25H18F2N2O7
  • Average mass496.416 Da
  • Monoisotopic mass496.108215 Da
  • ChemSpider ID2043353

More details:

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

254109-22-3 [RN]
4-Amino-2',7'-difluor-5-(methylamino)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diyl-diacetat [German] [ACD/IUPAC Name]
4-Amino-2',7'-difluoro-5-(methylamino)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diyl diacetate [ACD/IUPAC Name]
4-Amino-5-(N-methylamino)-3',6'-bis(acetyloxy)-2',7'-difluoro-spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one
6'-(acetyloxy)-4-amino-2',7'-difluoro-5-(methylamino)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-3'-yl acetate
DAF-FM DA
DAF-FM diacetate
Diacétate de 4-amino-2',7'-difluoro-5-(méthylamino)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diyle [French] [ACD/IUPAC Name]
Diaminofluorescein-FM diacetate
MFCD16872050
More...

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

MolMap_000015 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Biochemical assay reagents MedChem Express HY-D0717
      Biochemical Reagent MedChem Express HY-D0717
      Biochemical Reagent; MedChem Express HY-D0717
      DAF-FM DA is a reagent to detect and quantify low concentrations of nitric oxide (NO); DAF-FM fluorescence can be detected by any instrument that can detect fluorescein, including flow cytometers, microscopes, fluorescent microplate readers and fluorometers. MedChem Express HY-D0717

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

Density: 1.6±0.1 g/cm3
Boiling Point: 695.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 374.5±31.5 °C
Index of Refraction: 1.673
Molar Refractivity: 119.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 446.96
ACD/KOC (pH 5.5): 2728.53
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 456.87
ACD/KOC (pH 7.4): 2789.00
Polar Surface Area: 126 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 71.8±5.0 dyne/cm
Molar Volume: 318.1±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) =  3.97

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  613.21  (Adapted Stein & Brown method)
    Melting Pt (deg C):  265.48  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.68E-014  (Modified Grain method)
    Subcooled liquid VP: 3.33E-011 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):  0.02374
       log Kow used: 3.97 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.041343 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Aromatic Amines
       Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.45E-019  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.113E-012 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.97  (KowWin est)
  Log Kaw used:  -16.740  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  20.710
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -1.1058
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.1687  (recalcitrant)
   Biowin4 (Primary Survey Model) :   3.5522  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2992
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1715
 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):  4.44E-009 Pa (3.33E-011 mm Hg)
  Log Koa (Koawin est  ): 20.710
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  676 
       Octanol/air (Koa) model:  1.26E+008 
   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 = 201.3491 E-12 cm3/molecule-sec
      Half-Life =     0.053 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.637 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.499E+006
      Log Koc:  6.176 

 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 = 2.359 (BCF = 228.4)
       log Kow used: 3.97 (estimated)

 Volatilization from Water:
    Henry LC:  4.45E-019 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.931E+015  hours   (1.221E+014 days)
    Half-Life from Model Lake : 3.198E+016  hours   (1.332E+015 days)

 Removal In Wastewater Treatment:
    Total removal:              28.71  percent
    Total biodegradation:        0.31  percent
    Total sludge adsorption:    28.40  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       3.68e-008       1.27         1000       
   Water     4.08            4.32e+003    1000       
   Soil      94.3            8.64e+003    1000       
   Sediment  1.62            3.89e+004    0          
     Persistence Time: 8.09e+003 hr

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