Deoxycholic acid disulfate

Base Information

Chemical Name:Deoxycholic acid disulfate
CAS No.:67030-51-7
Molecular Formula:C24H40O10S2
Molecular Weight:552.7
Hs Code.:
DSSTox Substance ID:DTXSID601238379
Wikidata:Q76118391
Metabolomics Workbench ID:36968
ChEMBL ID:CHEMBL390864

Synonyms:Deoxycholic acid disulfate;Deoxycholic acid disulphate;CHEMBL390864;CHEBI:166728;DTXSID601238379;LMST05020027;(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,12-disulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid;3alpha,12alpha-disulfooxy-5beta-cholan-24-oic acid;(3alpha,5beta,12alpha)-3,12-Bis(sulfooxy)cholan-24-oic acid;Cholan-24-oic acid, 3,12-bis(sulfooxy)-, (3-.alpha., 5-.beta.,12-.alpha.)-;(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,12-disulooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid;67030-51-7

Suppliers and Price of Deoxycholic acid disulfate

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
Packaging
price

Total 4 raw suppliers

Chemical Property of Deoxycholic acid disulfate

Chemical Property:

PKA:-3.53±0.18(Predicted)
PSA：181.26000
Density:1.41±0.1 g/cm3(Predicted)
LogP:6.29370
XLogP3:4.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:8
Exact Mass:552.20628982
Heavy Atom Count:36
Complexity:1050

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
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MSDS Files:

Useful:

Canonical SMILES:CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)OS(=O)(=O)O)C)OS(=O)(=O)O)C
Isomeric SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)OS(=O)(=O)O)C

Technology Process of Deoxycholic acid disulfate

There total 1 articles about Deoxycholic acid disulfate 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: