Sinapoyl-CoA

Base Information

Chemical Name:Sinapoyl-CoA
CAS No.:54429-80-0
Molecular Formula:C₃₂H₄₆N₇O₂₀P₃S
Molecular Weight:973.739
Hs Code.:
DSSTox Substance ID:DTXSID50474893
Wikidata:Q27098089
Metabolomics Workbench ID:50151
Mol file:54429-80-0.mol

Synonyms:sinapoyl-CoA;sinapoyl-coenzyme A

Suppliers and Price of Sinapoyl-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 1 raw suppliers

Chemical Property of Sinapoyl-CoA

Chemical Property:

XLogP3:-4
Hydrogen Bond Donor Count:10
Hydrogen Bond Acceptor Count:25
Rotatable Bond Count:24
Exact Mass:973.17311905
Heavy Atom Count:63
Complexity:1720

Purity/Quality:: 98%2H ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C=CC4=CC(=C(C(=C4)OC)O)OC)O
Isomeric SMILES:CC(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)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/C4=CC(=C(C(=C4)OC)O)OC)O

Technology Process of Sinapoyl-CoA

There total 4 articles about Sinapoyl-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: 35.0%

: C₁₄H₁₄O₄N₂

: 85-61-0
coenzyme A

: 54429-80-0
sinapoyl-CoA

Guidance literature:: In tetrahydrofuran; water; at 20 ℃; for 2h;
DOI:10.1016/j.phytochem.2005.06.022

Reference yield:

: 530-59-6,7362-37-0
trans-3,5-dimethoxy-4-hydroxycinnamic acid

: 54429-80-0
sinapoyl-CoA

Guidance literature:: Multi-step reaction with 2 steps

1: 65 percent / 2 h / Heating

2: 35 percent / tetrahydrofuran; H₂O / 2 h / 20 °C

In tetrahydrofuran; water;
DOI:10.1016/j.phytochem.2005.06.022

Reference yield:

: 530-59-6,7362-37-0
trans-3,5-dimethoxy-4-hydroxycinnamic acid

: 85-61-0
coenzyme A

: 54429-80-0
sinapoyl-CoA

Guidance literature:: With magnesium chloride; ATP; at 30 ℃; for 0.0333333h; pH=7.5; Further Variations:; Reagents; Enzyme kinetics;
DOI:10.1016/j.phytochem.2005.06.022