- 5 of 5 defined stereocentres
4,5-Dihydroxy-7-methyl-9,10-dioxo-9,10-dihydro-2-anthracenyl 6-deoxy-α-L-mannopyranoside
O=C3c2cc(O[C@@H]1O[C@H]([C@H](O)[C@@H](O)[C@H]1O)C)cc(O)c2C(=O)c4c3cc(cc4O)C CopyCopied
InChI=1S/C21H20O9/c1-7-3-10-14(12(22)4-7)18(26)15-11(17(10)25)5-9(6-13(15)23)30-21-20(28)19(27)16(24)8(2)29-21/h3-6,8,16,19-24,27-28H,1-2H3/t8-,16-,19+,20+,21-/m0/s1 CopyCopied
DTTVUKLWJFJOHO-FUCRAMRQSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
1,3,8-Trihydroxy-6-methylanthraquinone-l-rhamnoside
1,8-Dihydroxy-3-methyl-6-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-9,10-anthrachinon
1,8-Dihydroxy-3-methyl-6-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-9,10-anthraquinone
1,8-Dihydroxy-3-méthyl-6-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-9,10-anthraquinone
4,5-Dihydroxy-7-methyl-9,10-dioxo-9,10-dihydro-2-anthracenyl-6-deoxy-α-L-mannopyranoside
4,5-Dihydroxy-7-methyl-9,10-dioxo-9,10-dihydroanthracen-2-yl 6-deoxy-α-L-mannopyranoside
521-62-0 [RN]
6-Désoxy-α-L-mannopyranoside de 4,5-dihydroxy-7-méthyl-9,10-dioxo-9,10-dihydro-2-anthracényle
9,10-anthracenedione, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-1,8-dihydroxy-6-methyl-
Emodin-l-rhamnoside
Frangulin A (8CI)
Rhamnoxanthin
208-316-2 [EINECS]
3-((6-Deoxy-α-L-mannopyranosyl)oxy)-1,8-dihydroxy-6-methyl-9,10-anthracenedione
3-((6-Deoxy-α-L-mannopyranosyl)oxy)-1,8-dihydroxy-6-methylanthraquinone
5-17-06-00267 (Beilstein Handbook Reference) [Beilstein]
60529-33-1 [RN]
9,10-Anthracenedione, 3-((6-deoxy-α-L-mannopyranosyl)oxy)-1,8-dihydroxy-6-methyl-
Anthraquinone, 3-((6-deoxy-α-L-mannopyranosyl)oxy)-1,8-dihydroxy-6-methyl-
Emodin-6-O-rhamnoside
Frangulin A
Franguloside
BRN 0059993 [DBID]
C10346 [DBID]
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.40 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 652.09 (Adapted Stein & Brown method) Melting Pt (deg C): 283.64 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.97E-019 (Modified Grain method) Subcooled liquid VP: 1.43E-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): 6.437 log Kow used: 2.40 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 30495 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.51E-022 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.677E-020 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.40 (KowWin est) Log Kaw used: -19.843 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 22.243 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1100 Biowin2 (Non-Linear Model) : 0.6806 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6851 (weeks-months) Biowin4 (Primary Survey Model) : 3.6691 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6544 Biowin6 (MITI Non-Linear Model): 0.0785 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1030 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): 1.91E-014 Pa (1.43E-016 mm Hg) Log Koa (Koawin est ): 22.243 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.57E+008 Octanol/air (Koa) model: 4.3E+009 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 = 229.7684 E-12 cm3/molecule-sec Half-Life = 0.047 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.559 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! 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 = 0.304 (BCF = 2.015) log Kow used: 2.40 (estimated) Volatilization from Water: Henry LC: 3.51E-022 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.404E+018 hours (1.418E+017 days) Half-Life from Model Lake : 3.713E+019 hours (1.547E+018 days) Removal In Wastewater Treatment: Total removal: 2.84 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.74 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 3.76e-005 1.12 1000 Water 17.1 900 1000 Soil 82.8 1.8e+003 1000 Sediment 0.117 8.1e+003 0 Persistence Time: 1.61e+003 hr
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