Try beta.chemspider
- 5 of 5 defined stereocentres
2-Oxo-4-phenyl-2H-chromen-7-yl beta-D-galactopyranoside
O=C/3Oc4cc(O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)CO)ccc4C(\c2ccccc2)=C\3
InChI=1S/C21H20O8/c22-10-16-18(24)19(25)20(26)21(29-16)27-12-6-7-13-14(11-4-2-1-3-5-11)9-17(23)28-15(13)8-12/h1-9,16,18-22,24-26H,10H2/t16-,18+,19+,20-,21-/m1/s1
SGRGSGBBTICBSH-OBJCFNGXSA-N
CSID:5441320, http://www.chemspider.com/Chemical-Structure.5441320.html (accessed 04:16, Apr 26, 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) = -0.57 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 627.56 (Adapted Stein & Brown method) Melting Pt (deg C): 272.19 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.9E-018 (Modified Grain method) Subcooled liquid VP: 9.98E-016 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): 9318 log Kow used: -0.57 (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 : 1.85E-017 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.074E-022 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.57 (KowWin est) Log Kaw used: -15.121 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.551 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7994 Biowin2 (Non-Linear Model) : 0.6930 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0991 (weeks ) Biowin4 (Primary Survey Model) : 4.0022 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6897 Biowin6 (MITI Non-Linear Model): 0.0922 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6947 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): 1.33E-013 Pa (9.98E-016 mm Hg) Log Koa (Koawin est ): 14.551 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.25E+007 Octanol/air (Koa) model: 87.3 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 = 303.5854 E-12 cm3/molecule-sec Half-Life = 0.035 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 25.367 Min Ozone Reaction: OVERALL Ozone Rate Constant = 13.770000 E-17 cm3/molecule-sec Half-Life = 0.083 Days (at 7E11 mol/cm3) Half-Life = 1.997 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: -0.57 (estimated) Volatilization from Water: Henry LC: 1.85E-017 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.333E+013 hours (2.639E+012 days) Half-Life from Model Lake : 6.908E+014 hours (2.878E+013 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 0.0697 0.594 1000 Water 46 360 1000 Soil 53.8 720 1000 Sediment 0.0844 3.24e+003 0 Persistence Time: 372 hr
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