Try beta.chemspider
3-Oxopimara-7,15-dien-19-yl hexopyranoside
CC1(CCC2C(=CCC3C2(CCC(=O)C3(C)COC4C(C(C(C(O4)CO)O)O)O)C)C1)C=C
InChI=1S/C26H40O7/c1-5-24(2)10-8-16-15(12-24)6-7-18-25(16,3)11-9-19(28)26(18,4)14-32-23-22(31)21(30)20(29)17(13-27)33-23/h5-6,16-18,20-23,27,29-31H,1,7-14H2,2-4H3
HQWFRECCMSDSQZ-UHFFFAOYSA-N
CSID:289808, http://www.chemspider.com/Chemical-Structure.289808.html (accessed 23:32, 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) = 2.30 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 603.64 (Adapted Stein & Brown method) Melting Pt (deg C): 261.01 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.71E-017 (Modified Grain method) Subcooled liquid VP: 6.54E-015 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): 13.18 log Kow used: 2.30 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 14266 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.59E-017 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.931E-019 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.30 (KowWin est) Log Kaw used: -14.454 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.754 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0784 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1362 (months ) Biowin4 (Primary Survey Model) : 3.1932 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6283 Biowin6 (MITI Non-Linear Model): 0.0290 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.4667 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): 8.72E-013 Pa (6.54E-015 mm Hg) Log Koa (Koawin est ): 16.754 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.44E+006 Octanol/air (Koa) model: 1.39E+004 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 = 223.1680 E-12 cm3/molecule-sec Half-Life = 0.048 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.575 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 43.174999 E-17 cm3/molecule-sec Half-Life = 0.027 Days (at 7E11 mol/cm3) Half-Life = 38.222 Min Reaction With Nitrate Radicals May Be Important! 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 : 110.4 Log Koc: 2.043 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 = 1.068 (BCF = 11.7) log Kow used: 2.30 (estimated) Volatilization from Water: Henry LC: 8.59E-017 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.469E+013 hours (6.121E+011 days) Half-Life from Model Lake : 1.603E+014 hours (6.678E+012 days) Removal In Wastewater Treatment: Total removal: 2.64 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.54 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 0.0137 0.41 1000 Water 22.9 1.44e+003 1000 Soil 77 2.88e+003 1000 Sediment 0.138 1.3e+004 0 Persistence Time: 1.32e+003 hr
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