DU92KW9Swv

Base Information

Chemical Name:DU92KW9Swv
CAS No.:68780-73-4
Molecular Formula:C₂₄H₄₀O₇S
Molecular Weight:472.643
Hs Code.:
UNII:DU92KW9SWV
DSSTox Substance ID:DTXSID501306757
Nikkaji Number:J398.510E
Metabolomics Workbench ID:36973
Mol file:68780-73-4.mol

Synonyms:DU92KW9SWV;Ursodeoxycholic acid 3-sulfate;UNII-DU92KW9SWV;68780-73-4;(4R)-4-((3R,5R,7S,8R,9S,10S,13R,14S,17R)-7-Hydroxy-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta(a)phenanthren-17-yl)pentanoic acid;(3alpha,5beta,7beta)-7-Hydroxy-3-(sulfooxy)cholan-24-oic acid;Cholan-24-oic acid, 7-hydroxy-3-(sulfooxy)-, (3alpha,5beta,7beta)-;Ursodeoxycholate 3-sulfate;(3a,5b,7b)-7-hydroxy-3-(sulfooxy)-Cholan-24-oic acid;DTXSID501306757;3alpha,7beta-Dihydroxy-5beta-cholan-24-oic acid 3-sulfate;(3.ALPHA.,5.BETA.,7.BETA.)-7-HYDROXY-3-(SULFOOXY)CHOLAN-24-OIC ACID;CHOLAN-24-OIC ACID, 7-HYDROXY-3-(SULFOOXY)-, (3.ALPHA.,5.BETA.,7.BETA.)-

Suppliers and Price of DU92KW9Swv

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 DU92KW9Swv

Chemical Property:

PSA：129.51000
Density:1.28g/cm³
LogP:5.38580
XLogP3:4.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:472.24947478
Heavy Atom Count:32
Complexity:823

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)OS(=O)(=O)O)C)O)C
Isomeric SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)O)C

Technology Process of DU92KW9Swv

There total 3 articles about DU92KW9Swv 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: 31.2%

: 128-13-2
ursodeoxycholic acid

: 88426-32-8
3,7-bis(sulfooxy)ursodeoxycholic acid

: 59132-32-0,64520-49-6,68780-68-7,68833-02-3,124815-69-6,68780-73-4
7-hydroxy-3-(sulfooxy)-(3α,5β,7β)-cholan-24-oic acid

: 74723-14-1
7-(sulfooxy)ursodeoxycholic acid

Guidance literature:: With pyridine; sulfur trioxide pyridine complex; at 0 - 20 ℃; for 0.166667h; other temperatures, other times, other reagent ratio;