Coenzyme A-glutathione mixed disulfide
TL;DR: Coenzyme A-glutathione mixed disulfide (CAS 6477-52-7) is a chemical compound with molecular formula C31H51N10O22P3S2 and molecular weight 1072.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-5-[[(2R)-2-amino-3-[2-[3-[[2-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-4-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyldisulfanyl]propanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid
Also Known As: Coassg, Glutathione-coa mixed disulfide, Coenzyme A glutathione disulfide, Coenzyme A-glutathione mixed disulfide, Coassg; (Acyl-CoA); [M+H]+;
| Molecular Formula | C31H51N10O22P3S2 |
|---|---|
| Molecular Weight | 1072.18 g/mol |
| LogP | -3.2545 |
| Topological Polar Surface Area | 510.58 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 29 |
| Exact Mass | 1072.1833 |
| Heavy Atoms | 68 |
| Complexity | 2276.0322 |
Chemical Identifiers
| CAS Number | 6477-52-7 |
|---|---|
| SMILES | CC(C)(CO)C(C(=O)NCCC(=O)NCCSSC[C@@H](C(=O)N(CC(=O)O)C(=O)CC[C@@H](C(=O)O)N)N)OP(=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 |
Product Overview
Coenzyme A-glutathione mixed disulfide (CAS 6477-52-7), with molecular formula C31H51N10O22P3S2 and molecular weight 1072.18 g/mol. IUPAC: (2S)-2-amino-5-[[(2R)-2-amino-3-[2-[3-[[2-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-4-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyldisulfanyl]propanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid.
Chemical Property Profile of Coenzyme A-glutathione mixed disulfide
Property Insights of Coenzyme A-glutathione mixed disulfide
The XLogP value of -3.2545 indicates that Coenzyme A-glutathione mixed disulfide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 510.58 Ų indicates high polarity, suggesting Coenzyme A-glutathione mixed disulfide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Coenzyme A-glutathione mixed disulfide has 13 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Coenzyme A-glutathione mixed disulfide?
The CAS number of Coenzyme A-glutathione mixed disulfide is 6477-52-7.
What is the molecular formula of Coenzyme A-glutathione mixed disulfide?
The molecular formula of Coenzyme A-glutathione mixed disulfide is C31H51N10O22P3S2.
What is the molecular weight of Coenzyme A-glutathione mixed disulfide?
The molecular weight of Coenzyme A-glutathione mixed disulfide is 1072.18 g/mol.
Where can I buy Coenzyme A-glutathione mixed disulfide?
You can request a quote for Coenzyme A-glutathione mixed disulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coenzyme A-glutathione mixed disulfide?
Yes, KEHONG BIO provides custom synthesis services for Coenzyme A-glutathione mixed disulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.