Try beta.chemspider
- 5 of 5 defined stereocentres
3-Amino-3,6-dideoxy-beta-D-mannopyranose
C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)N)O
InChI=1S/C6H13NO4/c1-2-4(8)3(7)5(9)6(10)11-2/h2-6,8-10H,7H2,1H3/t2-,3+,4-,5+,6-/m1/s1
OINCELAOJGBMQV-FDROIEKHSA-N
CSID:16735923, http://www.chemspider.com/Chemical-Structure.16735923.html (accessed 08:33, Apr 24, 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) = -2.98 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 327.30 (Adapted Stein & Brown method) Melting Pt (deg C): 99.82 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.12E-006 (Modified Grain method) Subcooled liquid VP: 5.98E-006 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: -2.98 (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 : 7.48E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.405E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -2.98 (KowWin est) Log Kaw used: -13.515 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.535 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9525 Biowin2 (Non-Linear Model) : 0.8488 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.3343 (days-weeks ) Biowin4 (Primary Survey Model) : 4.0342 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8075 Biowin6 (MITI Non-Linear Model): 0.4521 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.2721 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): 0.000797 Pa (5.98E-006 mm Hg) Log Koa (Koawin est ): 10.535 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00376 Octanol/air (Koa) model: 0.00841 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.12 Mackay model : 0.231 Octanol/air (Koa) model: 0.402 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 134.9294 E-12 cm3/molecule-sec Half-Life = 0.079 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.951 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.176 (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: -2.98 (estimated) Volatilization from Water: Henry LC: 7.48E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.998E+011 hours (4.166E+010 days) Half-Life from Model Lake : 1.091E+013 hours (4.545E+011 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 3.02e-008 1.9 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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