L-coenzyme A
TL;DR: L-coenzyme A (CAS 31416-98-5) is a chemical compound with molecular formula C21H36N7O16P3S and molecular weight 767.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3S)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate
Also Known As: coenzyme A, CoenzymeA, Zeel, Depot-Zeel, Reduced CoA
| Molecular Formula | C21H36N7O16P3S |
|---|---|
| Molecular Weight | 767.12 g/mol |
| LogP | -5.8 |
| Topological Polar Surface Area | 348.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 18 |
| Exact Mass | 767.11523 |
| Heavy Atoms | 48 |
| Complexity | 1270.0 |
Chemical Identifiers
| CAS Number | 31416-98-5 |
|---|---|
| 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)NCCS)O |
| InChIKey | RGJOEKWQDUBAIZ-HDCXRZRFSA-N |
Product Overview
L-coenzyme A (CAS 31416-98-5), with molecular formula C21H36N7O16P3S and molecular weight 767.12 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3S)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate.
Chemical Property Profile of L-coenzyme A
Property Insights of L-coenzyme A
The XLogP value of -5.8 indicates that L-coenzyme A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 348.0 Ų indicates high polarity, suggesting L-coenzyme A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L-coenzyme A has 10 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of L-coenzyme A?
The CAS number of L-coenzyme A is 31416-98-5.
What is the molecular formula of L-coenzyme A?
The molecular formula of L-coenzyme A is C21H36N7O16P3S.
What is the molecular weight of L-coenzyme A?
The molecular weight of L-coenzyme A is 767.12 g/mol.
Where can I buy L-coenzyme A?
You can request a quote for L-coenzyme A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-coenzyme A?
Yes, KEHONG BIO provides custom synthesis services for L-coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.