Try beta.chemspider
- 10 of 10 defined stereocentres
2-Acetamido-4-O-alpha-L-altrofuranosyl-2-deoxy-beta-D-glucopyranose
O=C(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O[C@@H]1O[C@@H]([C@@H](O)CO)[C@H](O)[C@H]1O)[C@@H]2O)C
InChI=1S/C14H25NO11/c1-4(18)15-7-8(20)12(6(3-17)24-13(7)23)26-14-10(22)9(21)11(25-14)5(19)2-16/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6+,7+,8+,9+,10+,11-,12+,13+,14-/m0/s1
XDJSTHFKZUCWKK-FKEPGRLCSA-N
CSID:9969018, http://www.chemspider.com/Chemical-Structure.9969018.html (accessed 12:58, Apr 24, 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) = -4.09 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 666.71 (Adapted Stein & Brown method) Melting Pt (deg C): 290.47 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.04E-020 (Modified Grain method) Subcooled liquid VP: 4.49E-017 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: -4.09 (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: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.07E-027 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.542E-026 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -4.09 (KowWin est) Log Kaw used: -24.779 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 20.689 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8442 Biowin2 (Non-Linear Model) : 0.0991 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.3916 (days-weeks ) Biowin4 (Primary Survey Model) : 4.3770 (hours-days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.9912 Biowin6 (MITI Non-Linear Model): 0.2084 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5874 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): 5.99E-015 Pa (4.49E-017 mm Hg) Log Koa (Koawin est ): 20.689 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.01E+008 Octanol/air (Koa) model: 1.2E+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 = 164.1519 E-12 cm3/molecule-sec Half-Life = 0.065 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.782 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 : 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: -4.09 (estimated) Volatilization from Water: Henry LC: 4.07E-027 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.817E+023 hours (1.174E+022 days) Half-Life from Model Lake : 3.073E+024 hours (1.28E+023 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 6.07e-009 1.56 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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