Try beta.chemspider
- 2 of 2 defined stereocentres
(2R,4S)-2-Methyldihydro-2,3,3,4(2H)-furantetrol
C[C@@]1(C([C@H](CO1)O)(O)O)O
InChI=1S/C5H10O5/c1-4(7)5(8,9)3(6)2-10-4/h3,6-9H,2H2,1H3/t3-,4+/m0/s1
BVIYGXUQVXBHQS-IUYQGCFVSA-N
CSID:395434, http://www.chemspider.com/Chemical-Structure.395434.html (accessed 15:02, Jul 21, 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) = 1.06 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 296.77 (Adapted Stein & Brown method) Melting Pt (deg C): 92.97 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.1E-005 (Modified Grain method) Subcooled liquid VP: 5.01E-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): 9393 log Kow used: 1.06 (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 : 2.00E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.313E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.06 (KowWin est) Log Kaw used: -11.087 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.147 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1196 Biowin2 (Non-Linear Model) : 0.0075 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5945 (weeks-months) Biowin4 (Primary Survey Model) : 3.4440 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5959 Biowin6 (MITI Non-Linear Model): 0.5032 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1170 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): 0.00668 Pa (5.01E-005 mm Hg) Log Koa (Koawin est ): 12.147 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000449 Octanol/air (Koa) model: 0.344 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.016 Mackay model : 0.0347 Octanol/air (Koa) model: 0.965 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 25.8323 E-12 cm3/molecule-sec Half-Life = 0.414 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.969 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0253 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1 Log Koc: 0.000 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 = 0.118 (BCF = 1.311) log Kow used: 1.06 (estimated) Volatilization from Water: Henry LC: 2E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.587E+009 hours (1.495E+008 days) Half-Life from Model Lake : 3.913E+010 hours (1.63E+009 days) Removal In Wastewater Treatment: Total removal: 1.89 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.80 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 2.6e-006 9.94 1000 Water 39.9 900 1000 Soil 60 1.8e+003 1000 Sediment 0.0854 8.1e+003 0 Persistence Time: 1.07e+003 hr
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