3-Oxopimeloyl-CoA
TL;DR: 3-Oxopimeloyl-CoA (CAS 1245946-51-3) is a chemical compound with molecular formula C28H44N7O20P3S and molecular weight 923.1575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[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]-5,7-dioxoheptanoic acid
Also Known As: 3-Oxopimeloyl-CoA, 3-Ketopimelyl-CoA, 3-oxo-7-carboxy-heptanoyl-CoA, 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxy-3-oxohexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}, 7-[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]-5,7-dioxoheptanoic acid
Technical Specifications
| Molecular Formula | C28H44N7O20P3S |
| Molecular Weight | 923.1575 g/mol |
| XLogP | -6.0 |
| Topological Polar Surface Area (TPSA) | 443.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 26 |
| Exact Mass | 923.1575 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)NCCSC(=O)CC(=O)CCCC(=O)O)O |
| InChIKey | KJXFOFKTZDJLMQ-UYRKPTJQSA-N |
Chemical Property Profile of 3-Oxopimeloyl-CoA
Property Insights of 3-Oxopimeloyl-CoA
The XLogP value of -6.0 indicates that 3-Oxopimeloyl-CoA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 443.0 Ų indicates high polarity, suggesting 3-Oxopimeloyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Oxopimeloyl-CoA has 10 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 3-Oxopimeloyl-CoA?
The CAS number of 3-Oxopimeloyl-CoA is 1245946-51-3.
What is the molecular formula of 3-Oxopimeloyl-CoA?
The molecular formula of 3-Oxopimeloyl-CoA is C28H44N7O20P3S.
What is the molecular weight of 3-Oxopimeloyl-CoA?
The molecular weight of 3-Oxopimeloyl-CoA is 923.1575 g/mol.
Where can I buy 3-Oxopimeloyl-CoA?
You can request a quote for 3-Oxopimeloyl-CoA directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Oxopimeloyl-CoA?
Yes, CoreyChem provides custom synthesis services for 3-Oxopimeloyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.