Try beta.chemspider
- 10 of 10 defined stereocentres
Undecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside
CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
InChI=1S/C23H44O11/c1-2-3-4-5-6-7-8-9-10-11-31-22-20(30)18(28)21(15(13-25)33-22)34-23-19(29)17(27)16(26)14(12-24)32-23/h14-30H,2-13H2,1H3/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23-/m1/s1
UYEMNFYVTFDKRG-ZNGNCRBCSA-N
CSID:394785, http://www.chemspider.com/Chemical-Structure.394785.html (accessed 20:16, 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) = 0.17 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 691.66 (Adapted Stein & Brown method) Melting Pt (deg C): 302.13 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.9E-021 (Modified Grain method) Subcooled liquid VP: 6.11E-018 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): 539.2 log Kow used: 0.17 (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 : 2.43E-021 atm-m3/mole Group Method: 4.15E-041 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.938E-024 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.17 (KowWin est) Log Kaw used: -19.003 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 19.173 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3412 Biowin2 (Non-Linear Model) : 0.0003 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.4852 (days-weeks ) Biowin4 (Primary Survey Model) : 4.2675 (hours-days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.0864 Biowin6 (MITI Non-Linear Model): 0.2089 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.0455 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): 8.15E-016 Pa (6.11E-018 mm Hg) Log Koa (Koawin est ): 19.173 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.68E+009 Octanol/air (Koa) model: 3.66E+006 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 = 153.7988 E-12 cm3/molecule-sec Half-Life = 0.070 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.835 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 : 16.62 Log Koc: 1.221 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: 0.17 (estimated) Volatilization from Water: Henry LC: 2.43E-021 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.369E+017 hours (2.237E+016 days) Half-Life from Model Lake : 5.857E+018 hours (2.441E+017 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 0.0259 1.67 1000 Water 34.6 208 1000 Soil 65.4 416 1000 Sediment 0.0606 1.87e+003 0 Persistence Time: 371 hr
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