Try beta.chemspider
- 5 of 5 defined stereocentres
2-Propyn-1-yl 2,3,4-tri-O-acetyl-6-deoxy-alpha-L-galactopyranoside
C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OCC#C)OC(=O)C)OC(=O)C)OC(=O)C
InChI=1S/C15H20O8/c1-6-7-19-15-14(23-11(5)18)13(22-10(4)17)12(8(2)20-15)21-9(3)16/h1,8,12-15H,7H2,2-5H3/t8-,12+,13+,14-,15+/m0/s1
WVHFUGQYVRPIGA-CELJHQOASA-N
CSID:10025780, http://www.chemspider.com/Chemical-Structure.10025780.html (accessed 15:20, Jun 16, 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) = 0.12 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 360.73 (Adapted Stein & Brown method) Melting Pt (deg C): 82.90 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.05E-005 (Modified Grain method) Subcooled liquid VP: 7.34E-005 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): 6576 log Kow used: 0.12 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 18442 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Propargyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.57E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.347E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.12 (KowWin est) Log Kaw used: -11.979 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.099 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4191 Biowin2 (Non-Linear Model) : 0.9765 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8769 (weeks ) Biowin4 (Primary Survey Model) : 4.0414 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8828 Biowin6 (MITI Non-Linear Model): 0.5079 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7421 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): 0.00979 Pa (7.34E-005 mm Hg) Log Koa (Koawin est ): 12.099 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000307 Octanol/air (Koa) model: 0.308 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.011 Mackay model : 0.0239 Octanol/air (Koa) model: 0.961 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 50.3686 E-12 cm3/molecule-sec Half-Life = 0.212 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.548 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.003000 E-17 cm3/molecule-sec Half-Life = 382.000 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 0.0174 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 15.71 Log Koc: 1.196 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.845E-001 L/mol-sec Kb Half-Life at pH 8: 43.491 days Kb Half-Life at pH 7: 1.191 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.12 (estimated) Volatilization from Water: Henry LC: 2.57E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.128E+010 hours (1.72E+009 days) Half-Life from Model Lake : 4.503E+011 hours (1.876E+010 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 6.08e-007 5.09 1000 Water 38.3 360 1000 Soil 61.6 720 1000 Sediment 0.0709 3.24e+003 0 Persistence Time: 584 hr
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