isobutyryl-CoA

Base Information

Chemical Name:isobutyryl-CoA
CAS No.:15621-60-0
Molecular Formula:C25H42 N7 O17 P3 S
Molecular Weight:837.632
Hs Code.:
DSSTox Substance ID:DTXSID90935397
Nikkaji Number:J721.070A
Wikipedia:Isobutyryl-CoA
Metabolomics Workbench ID:37679
Mol file:15621-60-0.mol

Synonyms:coenzyme A, isobutyryl-;isobutyryl-CoA;isobutyryl-coenzyme A

Suppliers and Price of isobutyryl-CoA

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 isobutyryl-CoA

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：418.36000
Density:1.83g/cm³
LogP:0.68370
XLogP3:-4.6
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:22
Rotatable Bond Count:21
Exact Mass:837.15707506
Heavy Atom Count:53
Complexity:1430

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
Isomeric SMILES:CC(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O

Technology Process of isobutyryl-CoA

There total 4 articles about isobutyryl-CoA 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:

: 4122-53-6
1-(1H-imidazol-1-yl)-2-methylpropan-1-one

: 85-61-0
coenzyme A

: 15621-60-0
isobutyryl-coenzyme A

Guidance literature:: In tetrahydrofuran; water; at 20 ℃; for 4h;
DOI:10.1271/bbb.67.2106

Reference yield:

: 2140-48-9
butyryl coenzyme A

: 15621-60-0
isobutyryl-coenzyme A

Guidance literature:: With GTPase; Geobacillus Kaustophilus isobutyryl coenzyme A mutase fused; magnesium chloride; Enzymatic reaction;
DOI:10.1074/jbc.M111.320051