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- 1 of 1 defined stereocentres
N~2~-Hydroxy-L-glutamine
C(CC(=O)N)[C@@H](C(=O)O)NO
InChI=1S/C5H10N2O4/c6-4(8)2-1-3(7-11)5(9)10/h3,7,11H,1-2H2,(H2,6,8)(H,9,10)/t3-/m0/s1
VQINCDSXSZLRHY-VKHMYHEASA-N
CSID:140358, http://www.chemspider.com/Chemical-Structure.140358.html (accessed 20:59, Apr 26, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = -2.59 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 397.73 (Adapted Stein & Brown method) Melting Pt (deg C): 164.83 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.85E-009 (Modified Grain method) Subcooled liquid VP: 2.16E-007 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): 5.382e+005 log Kow used: -2.59 (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-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.03E-019 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.112E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -2.59 (KowWin est) Log Kaw used: -16.608 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.018 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9532 Biowin2 (Non-Linear Model) : 0.9827 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1512 (weeks ) Biowin4 (Primary Survey Model) : 4.2048 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5857 Biowin6 (MITI Non-Linear Model): 0.6512 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3411 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): 2.88E-005 Pa (2.16E-007 mm Hg) Log Koa (Koawin est ): 14.018 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.104 Octanol/air (Koa) model: 25.6 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.79 Mackay model : 0.893 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 87.5058 E-12 cm3/molecule-sec Half-Life = 0.122 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.467 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.841 (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: -2.59 (estimated) Volatilization from Water: Henry LC: 6.03E-019 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.236E+015 hours (5.152E+013 days) Half-Life from Model Lake : 1.349E+016 hours (5.62E+014 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 8.17e-011 2.93 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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