Coenzyme A, S-(hydrogen methylpropanedioate)

Base Information

• Chemical Name: Coenzyme A, S-(hydrogen methylpropanedioate)
• CAS No.: 10251-08-8
• Molecular Formula: C₂₅H₄₀N₇O₁₉P₃S
• Molecular Weight: 867.615
• DSSTox Substance ID: DTXSID80869435
• Mol file: 10251-08-8.mol

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

Chemical Property of Coenzyme A, S-(hydrogen methylpropanedioate)

Chemical Property:

• XLogP3: -5.4
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 24
• Rotatable Bond Count: 22
• Exact Mass: 867.13125424
• Heavy Atom Count: 55
• Complexity: 1530

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C(=O)O)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

Technology Process of Coenzyme A, S-(hydrogen methylpropanedioate)

There total 8 articles about Coenzyme A, S-(hydrogen methylpropanedioate) 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: 96.5%

C8H9NO6 + coenzyme A (85-61-0) → (2RS)-methylmalonyl-CoA (1264-45-5,10251-08-8,73173-91-8,73173-92-9)

Guidance literature:

coenzyme A; With sodium hydrogencarbonate; In water; at 0 ℃; for 0.166667h;

C₈H₉NO₆; With sodium hydrogencarbonate; In water; acetone; at 0 ℃; for 12h; pH=Ca. 8;

DOI:10.1016/j.bmcl.2015.01.045

Reference yield:

S-propionyl-coenzyme-A (317-66-8) → (2RS)-methylmalonyl-CoA (1264-45-5,10251-08-8,73173-91-8,73173-92-9)

Guidance literature:

With propionyl-coa-carboxylase; ATP;

Reference yield:

coenzyme A (85-61-0) → (2RS)-methylmalonyl-CoA (1264-45-5,10251-08-8,73173-91-8,73173-92-9)

Guidance literature:

upstream raw materials:

coenzyme A

S-propionyl-coenzyme-A

methyl-propanedioic acid

coenzyme A

Downstream raw materials:

succinyl-coenzyme A

4-hydroxy-3-methyl-2-quinolone

4-hydroxy-1,3-dimethyl-2(1H)-quinolone