2-hydroxyglutaryl-5-coenzyme A
TL;DR: 2-hydroxyglutaryl-5-coenzyme A (CAS 137374-53-9) is a chemical compound with molecular formula C26H42N7O20P3S and molecular weight 897.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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]-2-hydroxy-5-oxopentanoic acid
Also Known As: 2-Hydroxyglutaryl-5-coa, 2-Hydroxyglutaryl-5-coenzyme A, 5-Coenzyme A, 2-hydroxyglutaryl, 5-CoenzymeA,2-hydroxyglutaryl, (R)-2-Hydroxyglutaryl-5-CoA
| Molecular Formula | C26H42N7O20P3S |
|---|---|
| Molecular Weight | 897.14 g/mol |
| LogP | -2.1096 |
| Topological Polar Surface Area | 421.16 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 23 |
| Exact Mass | 897.14185 |
| Heavy Atoms | 57 |
| Complexity | 1899.6998 |
Chemical Identifiers
| CAS Number | 137374-53-9 |
|---|---|
| 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)CCC(C(=O)O)O)O |
Product Overview
2-hydroxyglutaryl-5-coenzyme A (CAS 137374-53-9), with molecular formula C26H42N7O20P3S and molecular weight 897.14 g/mol. IUPAC: 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]-2-hydroxy-5-oxopentanoic acid.
Chemical Property Profile of 2-hydroxyglutaryl-5-coenzyme A
Property Insights of 2-hydroxyglutaryl-5-coenzyme A
The XLogP value of -2.1096 indicates that 2-hydroxyglutaryl-5-coenzyme A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 421.16 Ų indicates high polarity, suggesting 2-hydroxyglutaryl-5-coenzyme A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-hydroxyglutaryl-5-coenzyme A has 11 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-hydroxyglutaryl-5-coenzyme A?
The CAS number of 2-hydroxyglutaryl-5-coenzyme A is 137374-53-9.
What is the molecular formula of 2-hydroxyglutaryl-5-coenzyme A?
The molecular formula of 2-hydroxyglutaryl-5-coenzyme A is C26H42N7O20P3S.
What is the molecular weight of 2-hydroxyglutaryl-5-coenzyme A?
The molecular weight of 2-hydroxyglutaryl-5-coenzyme A is 897.14 g/mol.
Where can I buy 2-hydroxyglutaryl-5-coenzyme A?
You can request a quote for 2-hydroxyglutaryl-5-coenzyme A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-hydroxyglutaryl-5-coenzyme A?
Yes, KEHONG BIO provides custom synthesis services for 2-hydroxyglutaryl-5-coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.