- 8 of 8 defined stereocentres
Undecyl 4-O-alpha-D-erythro-hex-2-enopyranosyl-beta-D-glucopyranoside
O(CCCCCCCCCCC)[C@@H]2O[C@@H]([C@@H](O[C@H]1O[C@H](CO)[C@@H](O)C(\O)=C1\O)[C@H](O)[C@H]2O)CO
InChI=1S/C23H42O11/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/h14-16,18,20-30H,2-13H2,1H3/t14-,15-,16-,18-,20-,21-,22-,23-/m1/s1
VINFOYUHLCXCJI-MIWSBEAWSA-N
CSID:5290481, http://www.chemspider.com/Chemical-Structure.5290481.html (accessed 00:56, Apr 18, 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
No predicted properties have been calculated for this compound.
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 0.67 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 722.48 (Adapted Stein & Brown method) Melting Pt (deg C): 316.53 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.69E-022 (Modified Grain method) Subcooled liquid VP: 5.12E-019 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): 209.4 log Kow used: 0.67 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6.8237e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ethers Vinyl/Allyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.35E-019 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.360E-025 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.67 (KowWin est) Log Kaw used: -17.258 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.928 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3422 Biowin2 (Non-Linear Model) : 0.0003 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.4897 (days-weeks ) Biowin4 (Primary Survey Model) : 4.2704 (hours-days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.0676 Biowin6 (MITI Non-Linear Model): 0.2662 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.9666 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): 6.83E-017 Pa (5.12E-019 mm Hg) Log Koa (Koawin est ): 17.928 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.39E+010 Octanol/air (Koa) model: 2.08E+005 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 = 239.6996 E-12 cm3/molecule-sec Half-Life = 0.045 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.535 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 7.393750 E-17 cm3/molecule-sec Half-Life = 0.155 Days (at 7E11 mol/cm3) Half-Life = 3.720 Hrs 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: 0.67 (estimated) Volatilization from Water: Henry LC: 1.35E-019 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.645E+015 hours (4.019E+014 days) Half-Life from Model Lake : 1.052E+017 hours (4.384E+015 days) Removal In Wastewater Treatment: Total removal: 1.87 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.77 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 0.154 0.832 1000 Water 41.1 208 1000 Soil 58.6 416 1000 Sediment 0.0742 1.87e+003 0 Persistence Time: 246 hr
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