Acryloyl-CoA

Base Information

• Chemical Name: Acryloyl-CoA
• CAS No.: 5776-58-9
• Molecular Formula: C₂₄H₃₈N₇O₁₇P₃S
• Molecular Weight: 821.59
• UNII: PV7BP6Q8B6
• Nikkaji Number: J939.594F
• Wikidata: Q27089495
• Metabolomics Workbench ID: 50128
• Mol file: 5776-58-9.mol

Synonyms:acryloyl-CoA;acryloyl-coenzyme A;acrylyl-CoA;coenzyme A, acryloyl-

Chemical Property of Acryloyl-CoA

Chemical Property:

• PKA: 1.16±0.50(Predicted)
• PSA: 418.36000
• Density: 1.86±0.1 g/cm3(Predicted)
• LogP: 0.21370
• XLogP3: -5
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 21
• Exact Mass: 821.12577494
• Heavy Atom Count: 52
• Complexity: 1430

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

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=C)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)O
• Uses: Acrylyl-CoA can be used to determine clinical, biochemical, and genetic features of patients with short-chain enoyl-coA hydratase (ECHS1) deficiency. It can also be used to prepare fluorescent probe-based reactome array for detecting, immobilizing and isolating enzymes.

Technology Process of Acryloyl-CoA

There total 4 articles about Acryloyl-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:

acryloyl chloride (814-68-6,25189-84-8) + coenzyme A (85-61-0) → acryloyl-CoA (5776-58-9)

Guidance literature:

Reference yield:

coenzyme A (85-61-0) → acryloyl-CoA (5776-58-9)

Guidance literature:

DOI:10.1021/ja01626a108

Reference yield:

coenzyme A (85-61-0) → acryloyl-CoA (5776-58-9)

Guidance literature:

With acetyl-coa-synthetase; ATP;

upstream raw materials:

acryloyl chloride

coenzyme A

(R)-lactyl-CoA

Downstream raw materials:

S-(3-hydroxy-propionyl)-coenzyme-A

Refernces

• 1、 Parthasarathy, Anutthaman,Buckel, Wolfgang,Smith, David M.. "On the thermodynamic equilibrium between (R)-2-hydroxyacyl-CoA and 2-enoyl-CoA". experimental part. p. 1738 - 1746. Retrieved 2011/04/18.