Try beta.chemspider
- 10 of 10 defined stereocentres
4-O-beta-D-Glucopyranosyl-beta-D-glucopyranosylamine
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)N)CO)O)O)O)O
InChI=1S/C12H23NO10/c13-11-8(19)7(18)10(4(2-15)21-11)23-12-9(20)6(17)5(16)3(1-14)22-12/h3-12,14-20H,1-2,13H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1
RVOXBKZHFYRXCD-QRZGKKJRSA-N
CSID:10033067, http://www.chemspider.com/Chemical-Structure.10033067.html (accessed 18:19, 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) = -4.53 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 582.73 (Adapted Stein & Brown method) Melting Pt (deg C): 251.24 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.16E-016 (Modified Grain method) Subcooled liquid VP: 3.35E-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: -4.53 (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: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.51E-023 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.210E-023 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -4.53 (KowWin est) Log Kaw used: -20.989 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.459 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8079 Biowin2 (Non-Linear Model) : 0.0395 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.5631 (days-weeks ) Biowin4 (Primary Survey Model) : 4.2755 (hours-days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.0857 Biowin6 (MITI Non-Linear Model): 0.2075 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.6175 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): 4.47E-012 Pa (3.35E-014 mm Hg) Log Koa (Koawin est ): 16.459 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.72E+005 Octanol/air (Koa) model: 7.06E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 279.1983 E-12 cm3/molecule-sec Half-Life = 0.038 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 27.583 Min 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: -4.53 (estimated) Volatilization from Water: Henry LC: 2.51E-023 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.309E+019 hours (1.796E+018 days) Half-Life from Model Lake : 4.701E+020 hours (1.959E+019 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 3.97e-008 0.919 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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