Tannic acid - Moligand™, ACS, used for Tannic acid may be used in the following processes:Synthesis of ferric tannate complexes by reacting with metallic iron.As a protein deproteinizing agent in genomic and plasmid DNAs preparation.As a reductant in the

CAS: 1401-55-4 Cat. No.: T308008 Formula: C₇₆H₅₂O₄₆ Peso molecolare: 1701.20 Beilstein Registry Number: 8186396 Numero EC: 215-753-2

GRADE & PURITY Moligand™, ACS

Synonyms

Gallotannin | CHEBI:81066 | Gallotannic acid | Glycerite | Chinese gallotannin | MLS001335996 | Tannin | MFCD00066397

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Shipped In

Normal

Panoramica

Slight special smell, strong astringency, dark color in exposed light and air. Soluble in water, soluble in ethanol, acetone and glycerol, almost insoluble in ether, benzene, chloroform and petroleum ether. Slight special smell, with strong astringency.

Light yellow amorphous powder or loose glossy scaly or spongy solid, most of them decompose into pyrogallic acid and carbon dioxide at 210-215 ℃. 1G in 0.35ml water and 1ml hot glycerin. Odorless, flammable. When it comes to albumin, starch, gelatin and many alkaloids and metal salts, it will precipitate. When it comes to iron salts, it will also produce black or precipitate. The spontaneous combustion point was 526.6 ℃, and the median lethal dose (rabbit, oral) was 5.0 g / kg.

Tannin is not a single compound, and its chemical composition is complex

① Condensed tannin is a kind of flavanol. The 2-position of flavanol in the molecule combines with catechol or pyrogallol through carbon carbon bond.

② Hydrolyzable tannin, with ester bond in molecule, is gallate of glucose. The latter is commonly used tannin. The tannin obtained from gallnut of China contains about 12% glucose, and the tannin obtained from gallnut of Turkey contains about 16.5% glucose.

Precipitation and gravimetric determination of be, Al, GA, in, Nb, Ta and Zr. Determination of copper, iron, vanadium, cerium and cobalt. It is a precipitant of protein and alkaloid. External indicator for titration of lead with ammonium molybdate. Dyes, mordants.

Specifications

Sinonimi

Gallotannin | CHEBI:81066 | Gallotannic acid | Glycerite | Chinese gallotannin | MLS001335996 | Tannin | MFCD00066397

Specifiche e purezza

Moligand™, ACS

Applicazione

Tannic acid may be used in the following processes:Synthesis of ferric tannate complexes by reacting with metallic iron.As a protein deproteinizing agent in genomic and plasmid DNAs preparation.As a reductant in the synthesis of metal nano particles.

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature,Argon charged,Desiccated

Spedito in

Normal

Grado

ACS, Moligand™

Nomi e identificatori

Pubchem Sid

488199050

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488199050

Sorrisi canonici

Oc1cc(cc(O)c1O)C(=O)Oc2cc(cc(O)c2O)C(=O)OC[C@H]3O[C@@H](OC(=O)c4cc(O)c(O)c(OC(=O)c5cc(O)c(O)c(O)c5)c4)[C@H](OC(=O)c6cc(O)c(O)c(OC(=O)c7cc(O)c(O)c(O)c7)c6)[C@@H](OC(=O)c8cc(O)c(O)c(OC(=O)c9cc(O)c(O)c(O)c9)c8)[C@@H]3OC(=O)c%10cc(O)c(O)c(OC(=O)c%11cc(O)c(O)c(O)c%11)c%10

IUPAC Name

[2,3-dihydroxy-5-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy]oxan-2-yl]methoxycarbonyl]phenyl] 3,4,5-trihydroxybenzoate

InChIKey

LRBQNJMCXXYXIU-PPKXGCFTSA-N

INCHI

1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76+/m1/s1

Isomeri SMILES

C1=C(C=C(C(=C1O)O)O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)C4=CC(=C(C(=C4)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)OC(=O)C9=CC(=C(C(=C9)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O

WGK Germania

2

RTECS

WW5075000

CAS alternativo

5424-20-4

Peso molecolare

1701.20

Beilstein

8186396

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Tannins
      • Subclass Hydrolyzable tannins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Tannins
• Subclass: Hydrolyzable tannins
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydrolyzable tannins
• Alternative Parents: Depsides and depsidones Galloyl esters p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Phenol esters Pyrogallols and derivatives Phenoxy compounds Benzoyl derivatives Catechols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Oxanes Monosaccharides Carboxylic acid esters Oxacyclic compounds Acetals Polyols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hydrolyzable tannin - Depside backbone - Galloyl ester - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Dihydroxybenzoic acid - Phenol ester - Benzoate ester - Benzenetriol - Benzoic acid or derivatives - Pyrogallol derivative - Phenoxy compound - Catechol - Benzoyl - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monosaccharide - Oxane - Benzenoid - Monocyclic benzene moiety - Carboxylic acid ester - Polyol - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit.
• External Descriptors: tannin

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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CYP1A2 Tchem Cytochrome P450 1A2 (1 Activities)

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FYN Tclin Tyrosine-protein kinase Fyn (1 Activities)

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TBXAS1 Tchem Thromboxane-A synthase (1 Activities)

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PDE5A Tclin Phosphodiesterase 5A (5113 Activities)

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EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

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CA2 Tclin Carbonic anhydrase II (17698 Activities)

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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HMGCR Tclin HMG-CoA reductase (2475 Activities)

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NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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INSR Tclin Insulin receptor (5558 Activities)

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PGR Tclin Progesterone receptor (8562 Activities)

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ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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ACE Tclin Angiotensin-converting enzyme (1423 Activities)

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DRD2 Tclin Dopamine D2 receptor (23596 Activities)

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pol Human immunodeficiency virus type 1 reverse transcriptase (18245 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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pfk 6-phospho-1-fructokinase (7870 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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TGR Thioredoxin glutathione reductase (28579 Activities)

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Large T antigen (1457 Activities)

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CCT2 T-complex protein 1 subunit beta (5007 Activities)

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Glra2 Glycine receptor (1745 Activities)

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groL GroEL/GroES (1042 Activities)

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groEL 60 kDa chaperonin (64 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in water, warm glycerol, alcohol and acetone.
• Sensibilità: Air & Light Sensitive
• Punto di infiammabilità (°F): 390.2 °F
• Punto di infiammabilità (°C): 199 °C
• Punto di fusione (°C): 210-215°C
• Peso molecolare: 1701.200 g/mol
• XLogP3: 6.200
• Hydrogen Bond Donor Count: 25
• Hydrogen Bond Acceptor Count: 46
• Rotatable Bond Count: 31
• Exact Mass: 1700.17 Da
• Monoisotopic Mass: 1700.17 Da
• Topological Polar Surface Area: 778.000 Ų
• Heavy Atom Count: 122
• Formal Charge: 0
• Complexity: 3570.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1