Try beta.chemspider
- 8 of 8 defined stereocentres
beta-D-Xylopyranosyl alpha-D-xylopyranoside
O[C@H]2[C@H](O[C@H]1OC[C@@H](O)[C@H](O)[C@H]1O)OC[C@@H](O)[C@@H]2O
InChI=1S/C10H18O9/c11-3-1-17-9(7(15)5(3)13)19-10-8(16)6(14)4(12)2-18-10/h3-16H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10+/m1/s1
NDVDOFDGZVOHHB-SJYYZXOBSA-N
CSID:8531843, http://www.chemspider.com/Chemical-Structure.8531843.html (accessed 12:27, Jun 10, 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) = -3.62 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 488.28 (Adapted Stein & Brown method) Melting Pt (deg C): 207.12 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.51E-013 (Modified Grain method) Subcooled liquid VP: 4.69E-011 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: -3.62 (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 : 1.90E-019 atm-m3/mole Group Method: 1.38E-035 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.046E-019 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -3.62 (KowWin est) Log Kaw used: -17.110 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.490 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5235 Biowin2 (Non-Linear Model) : 0.0101 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.5092 (days-weeks ) Biowin4 (Primary Survey Model) : 4.1880 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.9827 Biowin6 (MITI Non-Linear Model): 0.3819 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.9365 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): 6.25E-009 Pa (4.69E-011 mm Hg) Log Koa (Koawin est ): 13.490 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 480 Octanol/air (Koa) model: 7.59 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 0.998 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 93.9581 E-12 cm3/molecule-sec Half-Life = 0.114 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.366 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: -3.62 (estimated) Volatilization from Water: Henry LC: 1.9E-019 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.177E+015 hours (2.157E+014 days) Half-Life from Model Lake : 5.648E+016 hours (2.353E+015 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 1.73e-007 2.73 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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