3-hydroxy-3-methylglutaryldithio-coenzyme A
TL;DR: 3-hydroxy-3-methylglutaryldithio-coenzyme A (CAS 134785-93-6) is a chemical compound with molecular formula C27H44N7O20P3S2 and molecular weight 943.1295 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyldisulfanyl]-3-hydroxy-3-methyl-5-oxopentanoic acid
Also Known As: Hmgdithio-coa, 3-Hydroxy-3-methylglutaryldithio-coa, 3-Hydroxy-3-methylglutaryldithio-coenzyme A, Coenzyme A, 3-hydroxy-3-methylglutaryldithio-, S-((4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)thio)coenzyme A
Technical Specifications
| Molecular Formula | C27H44N7O20P3S2 |
| Molecular Weight | 943.1295 g/mol |
| XLogP | -6.6 |
| Topological Polar Surface Area (TPSA) | 472.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 25 |
| Exact Mass | 943.1295 Da |
| Heavy Atoms | 59 |
| Complexity | 1640.0 |
| 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)NCCSSC(=O)CC(C)(CC(=O)O)O)O |
| InChIKey | DLQIGXWYURVVQD-SJBCKIPMSA-N |
Chemical Property Profile of 3-hydroxy-3-methylglutaryldithio-coenzyme A
Property Insights of 3-hydroxy-3-methylglutaryldithio-coenzyme A
The XLogP value of -6.6 indicates that 3-hydroxy-3-methylglutaryldithio-coenzyme A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 472.0 Ų indicates high polarity, suggesting 3-hydroxy-3-methylglutaryldithio-coenzyme A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-hydroxy-3-methylglutaryldithio-coenzyme A has 11 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-hydroxy-3-methylglutaryldithio-coenzyme A?
The CAS number of 3-hydroxy-3-methylglutaryldithio-coenzyme A is 134785-93-6.
What is the molecular formula of 3-hydroxy-3-methylglutaryldithio-coenzyme A?
The molecular formula of 3-hydroxy-3-methylglutaryldithio-coenzyme A is C27H44N7O20P3S2.
What is the molecular weight of 3-hydroxy-3-methylglutaryldithio-coenzyme A?
The molecular weight of 3-hydroxy-3-methylglutaryldithio-coenzyme A is 943.1295 g/mol.
Where can I buy 3-hydroxy-3-methylglutaryldithio-coenzyme A?
You can request a quote for 3-hydroxy-3-methylglutaryldithio-coenzyme A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-hydroxy-3-methylglutaryldithio-coenzyme A?
Yes, CoreyChem provides custom synthesis services for 3-hydroxy-3-methylglutaryldithio-coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.