4-Amino-4-deoxypentopyranose
C1C(C(C(C(O1)O)O)O)N
InChI=1S/C5H11NO4/c6-2-1-10-5(9)4(8)3(2)7/h2-5,7-9H,1,6H2
OEVMNXDFKAZCIM-UHFFFAOYSA-N
CSID:570813, http://www.chemspider.com/Chemical-Structure.570813.html (accessed 21:44, Mar 29, 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) = -3.51 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 317.92 (Adapted Stein & Brown method) Melting Pt (deg C): 93.95 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.48E-006 (Modified Grain method) Subcooled liquid VP: 1.15E-005 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: -3.51 (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 : 5.63E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.867E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -3.51 (KowWin est) Log Kaw used: -13.638 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.128 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9592 Biowin2 (Non-Linear Model) : 0.8727 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.3653 (days-weeks ) Biowin4 (Primary Survey Model) : 4.0544 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8561 Biowin6 (MITI Non-Linear Model): 0.6363 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.1922 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): 0.00153 Pa (1.15E-005 mm Hg) Log Koa (Koawin est ): 10.128 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00196 Octanol/air (Koa) model: 0.0033 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.066 Mackay model : 0.135 Octanol/air (Koa) model: 0.209 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 177.5892 E-12 cm3/molecule-sec Half-Life = 0.060 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.723 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.101 (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: -3.51 (estimated) Volatilization from Water: Henry LC: 5.63E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.27E+012 hours (5.292E+010 days) Half-Life from Model Lake : 1.385E+013 hours (5.773E+011 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 2.13e-008 1.45 1000 Water 34.5 208 1000 Soil 65.5 416 1000 Sediment 0.0596 1.87e+003 0 Persistence Time: 387 hr
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