3-Hydroxy-5-oxohexanoyl-CoA
TL;DR: 3-Hydroxy-5-oxohexanoyl-CoA (CAS 1245946-52-4) is a chemical compound with molecular formula C27H44N7O19P3S and molecular weight 895.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[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]ethyl] 3-hydroxy-5-oxohexanethioate
Also Known As: 3-Hydroxy-5-oxohexanoyl-CoA, 3-hydroxy-5-oxohexanoyl-coenzyme A, c0029, 3-Hydroxy-5-oxohexanoyl-CoA; (Acyl-CoA); [M+H]+;, 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxy-5-oxohexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
| Molecular Formula | C27H44N7O19P3S |
|---|---|
| Molecular Weight | 895.16 g/mol |
| LogP | -1.6052 |
| Topological Polar Surface Area | 400.93 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 23 |
| Exact Mass | 895.16254 |
| Heavy Atoms | 57 |
| Complexity | 1899.2572 |
Chemical Identifiers
| CAS Number | 1245946-52-4 |
|---|---|
| SMILES | CC(=O)CC(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(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)O)O |
Product Overview
3-Hydroxy-5-oxohexanoyl-CoA (CAS 1245946-52-4), with molecular formula C27H44N7O19P3S and molecular weight 895.16 g/mol. IUPAC: S-[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]ethyl] 3-hydroxy-5-oxohexanethioate.
Chemical Property Profile of 3-Hydroxy-5-oxohexanoyl-CoA
Property Insights of 3-Hydroxy-5-oxohexanoyl-CoA
The XLogP value of -1.6052 indicates that 3-Hydroxy-5-oxohexanoyl-CoA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 400.93 Ų indicates high polarity, suggesting 3-Hydroxy-5-oxohexanoyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Hydroxy-5-oxohexanoyl-CoA has 10 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 3-Hydroxy-5-oxohexanoyl-CoA?
The CAS number of 3-Hydroxy-5-oxohexanoyl-CoA is 1245946-52-4.
What is the molecular formula of 3-Hydroxy-5-oxohexanoyl-CoA?
The molecular formula of 3-Hydroxy-5-oxohexanoyl-CoA is C27H44N7O19P3S.
What is the molecular weight of 3-Hydroxy-5-oxohexanoyl-CoA?
The molecular weight of 3-Hydroxy-5-oxohexanoyl-CoA is 895.16 g/mol.
Where can I buy 3-Hydroxy-5-oxohexanoyl-CoA?
You can request a quote for 3-Hydroxy-5-oxohexanoyl-CoA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-5-oxohexanoyl-CoA?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-5-oxohexanoyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.