- 3 of 4 defined stereocentres
5-O-Phosphono-D-ribofuranose
C([C@@H]1[C@H]([C@H](C(O1)O)O)O)OP(=O)(O)O
InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5?/m1/s1
KTVPXOYAKDPRHY-SOOFDHNKSA-N
CSID:388313, http://www.chemspider.com/Chemical-Structure.388313.html (accessed 07:17, Nov 30, 2023)
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) = -2.73 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 454.55 (Adapted Stein & Brown method) Melting Pt (deg C): 87.79 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.47E-010 (Modified Grain method) Subcooled liquid VP: 5.89E-010 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: -2.73 (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 : 1.81E-022 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.451E-017 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -2.73 (KowWin est) Log Kaw used: -20.131 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.401 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7668 Biowin2 (Non-Linear Model) : 0.4170 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1619 (weeks ) Biowin4 (Primary Survey Model) : 3.8944 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6116 Biowin6 (MITI Non-Linear Model): 0.2141 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.1609 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): 7.85E-008 Pa (5.89E-010 mm Hg) Log Koa (Koawin est ): 17.401 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 38.2 Octanol/air (Koa) model: 6.18E+004 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.999 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 81.4631 E-12 cm3/molecule-sec Half-Life = 0.131 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.576 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 190.9 Log Koc: 2.281 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: -2.73 (estimated) Volatilization from Water: Henry LC: 1.81E-022 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.907E+018 hours (2.045E+017 days) Half-Life from Model Lake : 5.353E+019 hours (2.23E+018 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 6.26e-012 3.15 1000 Water 39 360 1000 Soil 60.9 720 1000 Sediment 0.0713 3.24e+003 0 Persistence Time: 579 hr
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