Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate)
TL;DR: Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate) (CAS 111769-66-5) is a chemical compound with molecular formula C26H42N7O20P3S and molecular weight 897.14185 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4R)-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]ethylsulfanyl]-4-hydroxy-5-oxopentanoic acid
Also Known As: 2-Hydroxyglutaryl-1-coa, 2-Hydroxyglutaryl-1-coenzyme A, (R)-2-hydroxyglutaryl-CoA, (R)-2-hydroxyglutaryl-coenzyme A, (4R)-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]ethylsulfanyl]-4-hydroxy-5-oxopentanoic acid
Technical Specifications
| Molecular Formula | C26H42N7O20P3S |
| Molecular Weight | 897.14185 g/mol |
| XLogP | -6.4 |
| Topological Polar Surface Area (TPSA) | 446.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 24 |
| Exact Mass | 897.14185 Da |
| Heavy Atoms | 57 |
| Complexity | 1560.0 |
| 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)NCCSC(=O)[C@@H](CCC(=O)O)O)O |
| InChIKey | ITRSBJZNLOYNNR-WZZMXTMRSA-N |
Product Description
Applications: Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate) is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate) (CAS 111769-66-5) is a fine chemical with the molecular formula C26H42N7O20P3S and a molecular weight of 897.14 g/mol. Synonyms include 2-Hydroxyglutaryl-1-coa and 2-Hydroxyglutaryl-1-coenzyme A.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate)
Property Insights of Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate)
The XLogP value of -6.4 indicates that Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 446.0 Ų indicates high polarity, suggesting Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate) has 11 hydrogen bond donor(s) and 25 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate)?
The CAS number of Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate) is 111769-66-5.
What is the molecular formula of Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate)?
The molecular formula of Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate) is C26H42N7O20P3S.
What is the molecular weight of Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate)?
The molecular weight of Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate) is 897.14185 g/mol.
What are the applications of Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate)?
Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate) is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical...
Where can I buy Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate)?
You can request a quote for Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate)?
Yes, CoreyChem provides custom synthesis services for Coenzyme A, S-(5-hydrogen (2R)-2-hydroxypentanedioate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.