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- 4 of 4 defined stereocentres
Uridine
c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
DRTQHJPVMGBUCF-XVFCMESISA-N
CSID:5807, http://www.chemspider.com/Chemical-Structure.5807.html (accessed 04:56, Feb 19, 2025)
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) = -1.86 Log Kow (Exper. database match) = -1.98 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 555.74 (Adapted Stein & Brown method) Melting Pt (deg C): 238.64 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.83E-015 (Modified Grain method) MP (exp database): 165 deg C Subcooled liquid VP: 2.71E-013 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): 6.122e+004 log Kow used: -1.98 (expkow database) 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: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.82E-019 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.160E-020 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.98 (exp database) Log Kaw used: -16.938 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.958 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7601 Biowin2 (Non-Linear Model) : 0.3693 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1307 (weeks ) Biowin4 (Primary Survey Model) : 3.8740 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5821 Biowin6 (MITI Non-Linear Model): 0.1611 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.0139 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): 3.61E-011 Pa (2.71E-013 mm Hg) Log Koa (Koawin est ): 14.958 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.3E+004 Octanol/air (Koa) model: 223 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 = 76.0106 E-12 cm3/molecule-sec Half-Life = 0.141 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.689 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec Half-Life = 6.549 Days (at 7E11 mol/cm3) 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: -1.98 (expkow database) Volatilization from Water: Henry LC: 2.82E-019 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.244E+015 hours (1.352E+014 days) Half-Life from Model Lake : 3.539E+016 hours (1.475E+015 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 4.69e-006 3.31 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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