- 5 of 6 defined stereocentres
1-O-[(Diisopropylamino)(ethoxy)phosphino]-2,3,4,6-tetra-O-methyl-beta-D-glucopyranose
CCOP(N(C(C)C)C(C)C)OC1C(C(C(C(O1)COC)OC)OC)OC
InChI=1S/C18H38NO7P/c1-10-24-27(19(12(2)3)13(4)5)26-18-17(23-9)16(22-8)15(21-7)14(25-18)11-20-6/h12-18H,10-11H2,1-9H3/t14-,15-,16+,17-,18+,27?/m1/s1
JEWQIGWMXCYRLI-AWCKHLSRSA-N
CSID:9168504, http://www.chemspider.com/Chemical-Structure.9168504.html (accessed 01:19, Apr 19, 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) = 0.55 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 407.16 (Adapted Stein & Brown method) Melting Pt (deg C): 144.70 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.41E-007 (Modified Grain method) Subcooled liquid VP: 5.57E-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): 886.4 log Kow used: 0.55 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5833.4 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.12E-017 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.083E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.55 (KowWin est) Log Kaw used: -14.679 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.229 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -1.1851 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2465 (months ) Biowin4 (Primary Survey Model) : 3.2054 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.4413 Biowin6 (MITI Non-Linear Model): 0.0001 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2488 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): 0.000743 Pa (5.57E-006 mm Hg) Log Koa (Koawin est ): 15.229 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00404 Octanol/air (Koa) model: 416 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.127 Mackay model : 0.244 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 436.4024 E-12 cm3/molecule-sec Half-Life = 0.025 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 17.647 Min Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.186 (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: 0.55 (estimated) Volatilization from Water: Henry LC: 5.12E-017 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.32E+013 hours (9.665E+011 days) Half-Life from Model Lake : 2.531E+014 hours (1.054E+013 days) Removal In Wastewater Treatment: Total removal: 1.86 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.77 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 6.75e-010 0.588 1000 Water 47 1.44e+003 1000 Soil 52.9 2.88e+003 1000 Sediment 0.0947 1.3e+004 0 Persistence Time: 1.21e+003 hr
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