Taurallocholic acid

Base Information

Chemical Name:Taurallocholic acid
CAS No.:59005-70-8
Molecular Formula:C₂₆H₄₅NO₇S
Molecular Weight:515.712
Hs Code.:
ChEMBL ID:CHEMBL2074926
DSSTox Substance ID:DTXSID201132868
Metabolomics Workbench ID:72226
Nikkaji Number:J1.206.198F
Mol file:59005-70-8.mol

Synonyms:Taurallocholic acid;TAUROALLOCHOLATE;N-(3alpha,7alpha,12alpha-trihydroxy-5alpha-cholan-24-oyl)-taurine;Taurallocholate;CHEMBL2074926;DTXSID201132868;LMST05040016;"2-((4R)-4-((3R,5R,7R,8R,9S,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid";2-[[(3alpha,5alpha,7alpha,12alpha)-3,7,12-Trihydroxy-24-oxocholan-24-yl]amino]ethanesulfonic acid

Suppliers and Price of Taurallocholic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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Total 0 raw suppliers

Chemical Property of Taurallocholic acid

Chemical Property:

PKA:1.42±0.50(Predicted)
PSA：152.54000
Density:1.264g/cm³
LogP:3.83980
XLogP3:2.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:515.29167395
Heavy Atom Count:35
Complexity:891

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
Isomeric SMILES:C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C

Technology Process of Taurallocholic acid

There total 1 articles about Taurallocholic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: