Try beta.chemspider
- 4 of 4 defined stereocentres
Ethyl 2,6-dideoxy-4-O-[2-(2-methoxyethoxy)ethyl]-3-C-methyl-3-O-methyl-beta-L-ribo-hexopyranoside
CCOC1CC(C(C(O1)C)OCCOCCOC)(C)OC
InChI=1S/C15H30O6/c1-6-19-13-11-15(3,17-5)14(12(2)21-13)20-10-9-18-8-7-16-4/h12-14H,6-11H2,1-5H3/t12-,13-,14-,15+/m0/s1
CTOVGLSUVZPVMR-ZQDZILKHSA-N
CSID:8885134, http://www.chemspider.com/Chemical-Structure.8885134.html (accessed 16:13, Apr 25, 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) = 0.23 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 340.22 (Adapted Stein & Brown method) Melting Pt (deg C): 103.97 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.73E-005 (Modified Grain method) Subcooled liquid VP: 0.000457 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): 7195 log Kow used: 0.23 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7.1172e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.09E-013 atm-m3/mole Group Method: 1.09E-015 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.331E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.23 (KowWin est) Log Kaw used: -10.682 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.912 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -1.6664 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2579 (weeks-months) Biowin4 (Primary Survey Model) : 3.1938 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1832 Biowin6 (MITI Non-Linear Model): 0.0113 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.3112 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0609 Pa (0.000457 mm Hg) Log Koa (Koawin est ): 10.912 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.92E-005 Octanol/air (Koa) model: 0.02 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00178 Mackay model : 0.00392 Octanol/air (Koa) model: 0.616 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 114.7626 E-12 cm3/molecule-sec Half-Life = 0.093 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.118 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00285 (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: 0.23 (estimated) Volatilization from Water: Henry LC: 5.09E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.013E+009 hours (8.389E+007 days) Half-Life from Model Lake : 2.196E+010 hours (9.152E+008 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 7.04e-006 2.24 1000 Water 45.3 900 1000 Soil 54.6 1.8e+003 1000 Sediment 0.0884 8.1e+003 0 Persistence Time: 988 hr
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