Format: Insert the DOI number only, not the DOI prefix. Enter 10.1021/ol702040y not DOI: 10.1021/ol702040y Use lookup button to fetch DOI record.
Click OK to accept, Cancel to reject fetch result.
OK Cancel
Enter PubMed Id in the text box below. Use lookup button to fetch PubMed record. Click OK to accept, Cancel to reject fetch result.
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
1-deoxy-D-ribitol
D-ribitol, 1-deoxy-
13046-76-9 [RN]
5-Deoxy-D-ribitol
5-Deoxyribitol
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = -1.69 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 295.69 (Adapted Stein & Brown method) Melting Pt (deg C): 65.11 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.27E-005 (Modified Grain method) Subcooled liquid VP: 5.4E-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): 1e+006 log Kow used: -1.69 (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 : 4.09E-010 atm-m3/mole Group Method: 9.52E-020 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.067E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.69 (KowWin est) Log Kaw used: -7.777 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.087 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.3176 Biowin2 (Non-Linear Model) : 0.9961 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.5382 (days-weeks ) Biowin4 (Primary Survey Model) : 4.1691 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8495 Biowin6 (MITI Non-Linear Model): 0.9406 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8160 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): 0.0072 Pa (5.4E-005 mm Hg) Log Koa (Koawin est ): 6.087 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000417 Octanol/air (Koa) model: 3E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0148 Mackay model : 0.0323 Octanol/air (Koa) model: 2.4E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 33.6450 E-12 cm3/molecule-sec Half-Life = 0.318 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.815 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0235 (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 = 0.500 (BCF = 3.162) log Kow used: -1.69 (estimated) Volatilization from Water: Henry LC: 4.09E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.67E+006 hours (6.96E+004 days) Half-Life from Model Lake : 1.822E+007 hours (7.592E+005 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 0.0145 7.63 1000 Water 34.5 208 1000 Soil 65.4 416 1000 Sediment 0.0598 1.87e+003 0 Persistence Time: 385 hr