- 10 of 10 defined stereocentres
2-O-(6-Deoxy-β-L-galactopyranosyl)-β-D-galactopyranose
O([C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H]2[C@@H](O)[C@@H](O)[C@H](O[C@H]2O)CO CopyCopied
InChI=1S/C12H22O10/c1-3-5(14)7(16)9(18)12(20-3)22-10-8(17)6(15)4(2-13)21-11(10)19/h3-19H,2H2,1H3/t3-,4+,5+,6-,7+,8-,9-,10+,11+,12+/m0/s1 CopyCopied
VSRVRBXGIRFARR-ALZNUFMXSA-N CopyCopied
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = -4.26 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 548.21 (Adapted Stein & Brown method) Melting Pt (deg C): 235.12 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.63E-015 (Modified Grain method) Subcooled liquid VP: 4.85E-013 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: -4.26 (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 : 1.22E-020 atm-m3/mole Group Method: 8.68E-040 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.129E-021 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -4.26 (KowWin est) Log Kaw used: -18.302 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.042 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6612 Biowin2 (Non-Linear Model) : 0.0165 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.5719 (days-weeks ) Biowin4 (Primary Survey Model) : 4.2539 (hours-days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.0480 Biowin6 (MITI Non-Linear Model): 0.2626 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.3346 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): 6.47E-011 Pa (4.85E-013 mm Hg) Log Koa (Koawin est ): 14.042 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.64E+004 Octanol/air (Koa) model: 27 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 = 166.5731 E-12 cm3/molecule-sec Half-Life = 0.064 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.771 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: -4.26 (estimated) Volatilization from Water: Henry LC: 1.22E-020 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.669E+016 hours (3.612E+015 days) Half-Life from Model Lake : 9.457E+017 hours (3.94E+016 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 1.23e-006 1.54 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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