- 4 of 4 defined stereocentres
6-Hydrazino-9-(beta-L-lyxofuranosyl)-9H-purine
n2c1c(ncnc1n(c2)[C@H]3O[C@H]([C@@H](O)[C@H]3O)CO)NN
InChI=1S/C10H14N6O4/c11-15-8-5-9(13-2-12-8)16(3-14-5)10-7(19)6(18)4(1-17)20-10/h2-4,6-7,10,17-19H,1,11H2,(H,12,13,15)/t4-,6+,7+,10-/m0/s1
DGKZTAGCCXJUAT-WDHZHIADSA-N
CSID:5320528, http://www.chemspider.com/Chemical-Structure.5320528.html (accessed 06:10, Mar 29, 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
No predicted properties have been calculated for this compound.
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = -1.66 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 547.21 (Adapted Stein & Brown method) Melting Pt (deg C): 234.65 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.88E-015 (Modified Grain method) Subcooled liquid VP: 5.24E-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): 1.997e+004 log Kow used: -1.66 (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: Hydrazines Imidazoles Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.65E-025 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.356E-020 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.66 (KowWin est) Log Kaw used: -22.721 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 21.061 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7420 Biowin2 (Non-Linear Model) : 0.2544 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0467 (weeks ) Biowin4 (Primary Survey Model) : 3.8191 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1000 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.9701 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): 6.99E-011 Pa (5.24E-013 mm Hg) Log Koa (Koawin est ): 21.061 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.29E+004 Octanol/air (Koa) model: 2.82E+008 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 = 238.3639 E-12 cm3/molecule-sec Half-Life = 0.045 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.538 Hrs Ozone Reaction: No Ozone Reaction Estimation 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: -1.66 (estimated) Volatilization from Water: Henry LC: 4.65E-025 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.115E+021 hours (8.814E+019 days) Half-Life from Model Lake : 2.308E+022 hours (9.615E+020 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 2.89e-011 1.08 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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