Tannic acid (TN)

Base Information

• Chemical Name: Tannic acid (TN)
• CAS No.: 72401-53-7
• Molecular Formula: C76H52 O46
• Molecular Weight: 1701.2
• Hs Code.: 3201909000
• Nikkaji Number: J1.666.475H
• NSC Number: 5031
• Wikidata: Q105156054
• Mol file: 72401-53-7.mol

Synonyms:(2S,3R,4S,5R,6R)-3,4,5-tris(3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy)-6-((3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy)methyl)oxan-2-yl 3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoate;Gallotannic Acid;Gallotannin;Tannic Acid

Chemical Property of Tannic acid (TN)

Chemical Property:

• PKA: 6.00±0.50(Predicted)
• PSA: 777.98000
• Density: 2.12g/cm³
• LogP: 4.83810
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 25
• Hydrogen Bond Acceptor Count: 46
• Rotatable Bond Count: 31
• Exact Mass: 1700.1729741
• Heavy Atom Count: 122
• Complexity: 3570

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)OCC3C(C(C(C(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

Refernces

• 1、 Danahy, Kelley E.,Styduhar, Evan D.,Fodness, Aria M.,Heckman, Laurel M.,Jamison, Timothy F.. "On-Demand Generation and Use in Continuous Synthesis of the Ambiphilic Nitrogen Source Chloramine". supporting information. p. 8392 - 8395. Retrieved 2020/11/18.
• 2、 Shen, Yifan,Zhou, Yu,Jiang, Lili,Ding, Guangni,Luo, Luo,Zhang, Zhaoguo,Xie, Xiaomin. "Selective aerobic oxidation of benzylic amines to aryl nitriles catalyzed by CuBr2/N-methyl imidazole". . p. 4266 - 4271. Retrieved 2018/07/06.