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CAS No. : | 868-14-4 | MDL No. : | MFCD00065392 |
Formula : | C4H5KO6 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | KYKNRZGSIGMXFH-UHFFFAOYSA-M |
M.W : | 188.18 | Pubchem ID : | 23666342 |
Synonyms : |
|
Num. heavy atoms : | 11 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 0.5 |
Num. rotatable bonds : | 3 |
Num. H-bond acceptors : | 6.0 |
Num. H-bond donors : | 3.0 |
Molar Refractivity : | 25.27 |
TPSA : | 117.89 Ų |
GI absorption : | Low |
BBB permeant : | No |
P-gp substrate : | Yes |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | Yes |
Log Kp (skin permeation) : | -8.78 cm/s |
Log Po/w (iLOGP) : | -9.89 |
Log Po/w (XLOGP3) : | -1.88 |
Log Po/w (WLOGP) : | -3.46 |
Log Po/w (MLOGP) : | -2.18 |
Log Po/w (SILICOS-IT) : | -1.88 |
Consensus Log Po/w : | -3.86 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 2.0 |
Bioavailability Score : | 0.56 |
Log S (ESOL) : | 0.38 |
Solubility : | 447.0 mg/ml ; 2.38 mol/l |
Class : | Highly soluble |
Log S (Ali) : | -0.08 |
Solubility : | 158.0 mg/ml ; 0.839 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | 2.44 |
Solubility : | 52300.0 mg/ml ; 278.0 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.78 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
EXAMPLE 2 500 gms of tamarind pulp was extracted for one hr with 1.5 l water, at 80 C., another 2 l of water at 80 C. was added and extraction continued for another hour. The suspension was filtered and the filtrate was mixed with 80 gms activated charcoal stirred for 30 min. at 70 C. and filtered to remove activated charcoal. The filtrate was centrifuged to obtain a clear solution. This was vacuum concentrated at 60 C. to reduce the volume to 775 ml. The concentrate was then cooled to 15 C. and allowed to stand for 4 hrs. The salt precipitated was recovered by filtration. The residue was washed with 2 aliquots of 50 ml of water at 5 C. and washings added to the filtrate. The residue was recrystallized from hot water at 70 C. to yield 19 gm of potassium bitartrate, having purity >99% The filtrate obtained after removal of potassium bitartrate was mixed with one 1 of acetone and stirred for 45 min. The pectin precipitated was washed with 600 ml acetone water mixture and washings added to the filtrate. | ||
EXAMPLE 3 500 gms of tamarind pulp was extracted for one hr with 2 l water, at 60 C., another 2 l of water at 60 C. was added and extraction continued for another hour. The suspension was filtered and the filtrate was mixed with 60 gms activated charcoal, stirred for 25 min. at 70 C. and filtered to remove activated charcoal. The filtrate was centrifuged to obtain a clear solution. This was vacuum concentrated at 60 C. to reduce the volume to 500 ml. The concentrate was then cooled to 5 C. and allowed to stand for 10 hrs. The salt precipitated was recovered by filtration. The residue was washed with 2 aliquots of 50 ml of water at 5 C. and washings added to the filtrate. The residue was recrystallized from hot water at 70 C. to yield 20 gm of potassium bitartrate, having purity >99%. The filtrate obtained after removal of potassium bitartrate was mixed with 1.5 l of ethanol and stirred for 30 min. The pectin precipitated was washed with 700 ml ethanol water mixture and washings added to the filtrate. | ||
EXAMPLE 4 500 gms of tamarind pulp was extracted for one hr with 2 l water, at 30 C., another 2 l of water at 30 C. was added and extraction continued for another hour. The suspension was filtered and the filtrate was mixed with 35 gms activated charcoal, stirred for 15 min. at 70 C. and filtered to remove activated charcoal. The filtrate was centrifuged to obtain a clear solution. This was vacuum concentrated at 50 C. to reduce the volume to 550 ml. The concentrate was then cooled to 10 C. and allowed stand for 3 hrs. The salt precipitated was recovered by filtration. The residue was washed with 2 aliquots of 50 ml of water at 5 C. and washings added to the filtrate. The residue was recrystallized from hot water at 70 C. to yield 21 gm of potassium bitartrate, having purity >99%. The filtrate obtained after removal of potassium bitartrate was mixed with 1.2 l of methanol and stirred for 40 min. The pectin precipitated was washed with 650 ml methanol water mixture and washings added to the filtrate. |
EXAMPLE 8 500 gms of tamarind pulp was extracted for one hr with 1.5 l water, at 50 C., another 2 l of water at 50 C. was added and extraction continued for another hour. The suspension was filtered and then 30 g sodium hydrosulphite was added and stirred for 60 min. at 50 C. The filtrate was mixed with 20 gms activated charcoal, stirred for 30 min. at 50 C. and filtered to remove activated charcoal. The filtrate was centrifuged to obtain a clear solution. This was vacuum concentrated at 60 C. to reduce the volume to 775 ml. The concentrate was then cooled to 15 C. and allowed to stand for 4 hrs. The salt precipitated was recovered by filtration. The residue was washed with 2 aliquots of 50 ml of water at 5 C. and washings added to the filtrate. The residue was recrystallized from hot water at 70 C. to yield 19 gm of potassium bitartrate, having purity >99%. The filtrate obtained after removal of potassium bitartrate was mixed with one l of acetone and stirred for 45 min. The pectin precipitated was washed with 600 ml acetone: water mixture and washings added to the filtrate. | ||
EXAMPLE 9 500 gms of tamarind pulp was extracted for one hr with 1.5 l water, at 80 C., another 2 l of water at 80 C. was added and extraction continued for another 2 hrs. The suspension was filtered and then 20 g hydrosulphite was added and stirred for 30 min. at 30 C. The filtrate was mixed with 40 gms activated charcoal, stirred for 30 min. at 70 C. and filtered to remove activated charcoal. The filtrate was centrifuged to obtain a clear solution. This was vacuum concentrated at 60 C. to reduce the volume to 800 ml. The concentrate was then cooled to 15+ C. and allowed to stand for 4 hrs. The salt precipitated was recovered by filtration. The residue was washed with 2 aliquots of 50 ml of water at 5 C. and washings added to the filtrate. The residue was recrystallized from hot water at 70 C. to yield 19 gm of potassium bitartrate, having purity >99%. The filtrate obtained after removal of potassium bitartrate was mixed with 1 l of acetone and stirred for 45 min. The pectin precipitated was washed with 600 ml acetone: water mixture and washings added to the filtrate. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
EXAMPLE 6 500 gms of tamarind pulp was extracted for one hr with 1 l water at room temperature and filtered. The residue was extracted with 1 l water at room temperature. The procedure was further repeated again for five times. All filtrates were mixed together and 80 gm activated charcoal was added. The suspension was stirred for 15 min at room temperature and filtered to remove activated charcoal. The filtrate was centrifuged to obtain a clear solution. This was vacuum concentrated at 50 C. to reduce the volume to 400 ml. The concentrate was then cooled to 14 C. and allowed to stand for 3 hrs. The salt precipitated was recovered by filtration. The residue was washed with 2 aliquots of 50 ml of water at 5 C. and washings added to the filtrate. The residue was recrystallized from hot water at 70 C. to yield 22 gm of potassium bitartrate, having purity >99%. | ||
EXAMPLE 4 50 g (0.14 mole) of potassium N,N,O-triacetyl-1-amino-2-napthol-4-sulphonate and 100 ml of ethanol are placed in a 500 ml flask provided with a stirrer and a reflux condenser, and the resultant suspension is heated to boiling, distilled water being added until the components have completely dissolved. A solution formed from 24.5 (0.13 mole) of sodium bitartrate monohydrate in 140 ml of water is then added, a precipitate corresponding to potassium bitartrate being formed immediately. |
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