Methyl 3-amino-2,3,6-trideoxyhexopyranoside
CC1C(C(CC(O1)OC)N)O
InChI=1S/C7H15NO3/c1-4-7(9)5(8)3-6(10-2)11-4/h4-7,9H,3,8H2,1-2H3
UIWJWFKPPXKEJV-UHFFFAOYSA-N
CSID:236853, http://www.chemspider.com/Chemical-Structure.236853.html (accessed 12:02, Jun 2, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = -1.57 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 259.87 (Adapted Stein & Brown method) Melting Pt (deg C): 53.06 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000943 (Modified Grain method) Subcooled liquid VP: 0.00171 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: -1.57 (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: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.28E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.000E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.57 (KowWin est) Log Kaw used: -11.873 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.303 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2886 Biowin2 (Non-Linear Model) : 0.0196 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0100 (weeks ) Biowin4 (Primary Survey Model) : 3.7684 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5003 Biowin6 (MITI Non-Linear Model): 0.1341 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5103 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): 0.228 Pa (0.00171 mm Hg) Log Koa (Koawin est ): 10.303 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.32E-005 Octanol/air (Koa) model: 0.00493 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000475 Mackay model : 0.00105 Octanol/air (Koa) model: 0.283 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 84.4076 E-12 cm3/molecule-sec Half-Life = 0.127 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.521 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000763 (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: -1.57 (estimated) Volatilization from Water: Henry LC: 3.28E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.266E+010 hours (9.443E+008 days) Half-Life from Model Lake : 2.472E+011 hours (1.03E+010 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-007 3.04 1000 Water 39 360 1000 Soil 60.9 720 1000 Sediment 0.0713 3.24e+003 0 Persistence Time: 579 hr
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