Try beta.chemspider
- 5 of 5 defined stereocentres
3,4-Dimethyl-2-oxo-2H-chromen-7-yl beta-D-galactopyranoside
CC1=C(C(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)C
InChI=1S/C17H20O8/c1-7-8(2)16(22)24-11-5-9(3-4-10(7)11)23-17-15(21)14(20)13(19)12(6-18)25-17/h3-5,12-15,17-21H,6H2,1-2H3/t12-,13+,14+,15-,17-/m1/s1
PBKOPTJDPFQPKU-RUCLQGLUSA-N
CSID:5438607, http://www.chemspider.com/Chemical-Structure.5438607.html (accessed 06:14, Jun 1, 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) = -1.24 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 565.62 (Adapted Stein & Brown method) Melting Pt (deg C): 243.25 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.47E-016 (Modified Grain method) Subcooled liquid VP: 1.26E-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): 6.843e+004 log Kow used: -1.24 (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: Methacrylates Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.01E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.706E-021 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.24 (KowWin est) Log Kaw used: -13.384 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.144 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6942 Biowin2 (Non-Linear Model) : 0.4249 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1833 (weeks ) Biowin4 (Primary Survey Model) : 4.0667 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7862 Biowin6 (MITI Non-Linear Model): 0.1838 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8680 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): 1.68E-011 Pa (1.26E-013 mm Hg) Log Koa (Koawin est ): 12.144 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.79E+005 Octanol/air (Koa) model: 0.342 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 0.965 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 315.9956 E-12 cm3/molecule-sec Half-Life = 0.034 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 24.371 Min Ozone Reaction: OVERALL Ozone Rate Constant = 38.272499 E-17 cm3/molecule-sec Half-Life = 0.030 Days (at 7E11 mol/cm3) Half-Life = 43.118 Min 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: -1.24 (estimated) Volatilization from Water: Henry LC: 1.01E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.088E+012 hours (4.534E+010 days) Half-Life from Model Lake : 1.187E+013 hours (4.946E+011 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 0.0425 0.381 1000 Water 45.8 360 1000 Soil 54.1 720 1000 Sediment 0.0837 3.24e+003 0 Persistence Time: 379 hr
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