Try beta.chemspider
- 8 of 8 defined stereocentres
1-O-alpha-D-Galactopyranosyl-2-C-(hydroxymethyl)-D-arabinitol
C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@](CO)([C@@H]([C@@H](CO)O)O)O)O)O)O)O
InChI=1S/C12H24O11/c13-1-5(16)10(20)12(21,3-15)4-22-11-9(19)8(18)7(17)6(2-14)23-11/h5-11,13-21H,1-4H2/t5-,6-,7+,8+,9-,10-,11+,12-/m1/s1
KMBKXANDSFBRCO-VCKNUUNJSA-N
CSID:390168, http://www.chemspider.com/Chemical-Structure.390168.html (accessed 07:19, 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) = -5.85 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 597.67 (Adapted Stein & Brown method) Melting Pt (deg C): 258.22 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.96E-017 (Modified Grain method) Subcooled liquid VP: 1.04E-014 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): 1e+006 log Kow used: -5.85 (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 : 4.20E-021 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.341E-023 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -5.85 (KowWin est) Log Kaw used: -18.765 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.915 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9748 Biowin2 (Non-Linear Model) : 0.1794 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.4886 (days-weeks ) Biowin4 (Primary Survey Model) : 4.2136 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.2060 Biowin6 (MITI Non-Linear Model): 0.8422 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.0190 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): 1.39E-012 Pa (1.04E-014 mm Hg) Log Koa (Koawin est ): 12.915 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.16E+006 Octanol/air (Koa) model: 2.02 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 0.994 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 142.8380 E-12 cm3/molecule-sec Half-Life = 0.075 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.899 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 : 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: -5.85 (estimated) Volatilization from Water: Henry LC: 4.2E-021 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.587E+017 hours (1.078E+016 days) Half-Life from Model Lake : 2.822E+018 hours (1.176E+017 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 2.22e-005 1.8 1000 Water 34.5 208 1000 Soil 65.5 416 1000 Sediment 0.0596 1.87e+003 0 Persistence Time: 387 hr
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