Try beta.chemspider
- 8 of 8 defined stereocentres
4-Methyl-2-oxo-2H-chromen-7-yl 4-O-beta-D-xylopyranosyl-beta-D-xylopyranoside
O=C/4Oc3c(ccc(O[C@@H]2OC[C@@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H]2O)c3)\C(=C\4)C
InChI=1S/C20H24O11/c1-8-4-14(22)30-12-5-9(2-3-10(8)12)29-19-18(26)16(24)13(7-28-19)31-20-17(25)15(23)11(21)6-27-20/h2-5,11,13,15-21,23-26H,6-7H2,1H3/t11-,13-,15+,16+,17-,18-,19+,20+/m1/s1
OAEJNHLLPXDPCN-WZZSYRLHSA-N
CSID:9480217, http://www.chemspider.com/Chemical-Structure.9480217.html (accessed 04:46, May 8, 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) = -1.94 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 662.61 (Adapted Stein & Brown method) Melting Pt (deg C): 288.56 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.39E-020 (Modified Grain method) Subcooled liquid VP: 6.22E-017 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): 7.82e+004 log Kow used: -1.94 (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: Acrylates Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.52E-021 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.476E-025 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.94 (KowWin est) Log Kaw used: -18.987 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.047 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1163 Biowin2 (Non-Linear Model) : 0.0007 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1313 (weeks ) Biowin4 (Primary Survey Model) : 4.0496 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7214 Biowin6 (MITI Non-Linear Model): 0.0271 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3447 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): 8.29E-015 Pa (6.22E-017 mm Hg) Log Koa (Koawin est ): 17.047 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.62E+008 Octanol/air (Koa) model: 2.74E+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 = 341.3017 E-12 cm3/molecule-sec Half-Life = 0.031 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 22.564 Min Ozone Reaction: OVERALL Ozone Rate Constant = 9.315001 E-17 cm3/molecule-sec Half-Life = 0.123 Days (at 7E11 mol/cm3) Half-Life = 2.953 Hrs 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: -1.94 (estimated) Volatilization from Water: Henry LC: 2.52E-021 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.876E+017 hours (2.032E+016 days) Half-Life from Model Lake : 5.319E+018 hours (2.216E+017 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 0.00175 0.599 1000 Water 39.2 360 1000 Soil 60.7 720 1000 Sediment 0.0717 3.24e+003 0 Persistence Time: 571 hr
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